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CAS 102040-03-9 Tubeimoside A molecular structure lightbox
CAS RN: 102040-03-9

Tubeimoside A

Product Availability

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9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260525 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250612 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250422 1g In stock Shanghai Inquiry
Batchno.20260404 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250326 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260322 50mg In stock Shanghai Inquiry
Batchno.20260430 5mg In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260408 20mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-003287
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 102040-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

102040-03-9 / (1S,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42S,46S,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,58-nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione

Olean-12-en-28-oic acid, 3-((2-O-(4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl)oxy)-2,23-dihydroxy-, 28-((O-beta-D-xylopyranosyl)-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol ester, (2beta,3beta(S),4alpha)-

Standard CAS: 102040-03-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102040-03-9
Multi CAS
Yes
Molecular Formula
C63H98O29
Molecular Weight
1319.400000
Exact Mass
1318.619377
SMILES
C[C@H]1[C@H]2[C@H]([C@H]([C@@H](O1)O[C@@H]3[C@H]([C@H](CO[C@H]3OC(=O)[C@@]45CC[C@@]6(C(=CC[C@@H]7[C@]6(CC[C@@H]8[C@@]7(C[C@@H]([C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)OC(=O)C[C@](CC(=O)O2)(C)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChI
InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32+,33-,34+,35-,38-,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,50-,51-,52-,53-,54-,55-,58-,59-,60-,61+,62+,63-/m0/s1
InChIKey
MCPFEAJYKIXPQF-QXJNFEKOSA-N
Synonyms
Olean-12-en-28-oic acid, 3-((2-O-(4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl)oxy)-2,23-dihydroxy-, 28-((O-beta-D-xylopyranosyl)-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol ester, (2beta,3beta(S),4alpha)-

Computed Properties

Structural Parameters

Heavy atom count
92
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
29
H-bond donors
14
Molar refractivity
306.41
TPSA
445.19

LogP / Solubility

WLOGP
-2.68
MLOGP
-2.22
XLogP3
-1.8
Consensus LogP
-2.23
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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