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CAS 128502-94-3 Ophiogenin-3-O-α-L-rhaMnopyranosyl-(1→2)-β-D-glucopyranoside molecular structure lightbox
CAS RN: 128502-94-3

Ophiogenin-3-O-α-L-rhaMnopyranosyl-(1→2)-β-D-glucopyranoside

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250127 1mg / 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260314 10mg In stock Shanghai Inquiry
Batchno.20250604 25mg Out of stock Inquiry
Batchno.20250404 5mg Out of stock Inquiry
  • Product code: starshine_CAS128502-94-3
  • Purity/Analytical Methods: >99.0%
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128502-94-3 / (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 128502-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128502-94-3
Multi CAS
No
Molecular Formula
C39H62O14
Molecular Weight
754.900000
Exact Mass
754.413957
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@]4([C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O)O)C)OC1
InChI
InChI=1S/C39H62O14/c1-18-8-13-38(48-17-18)20(3)39(47)26(53-38)15-37(46)24-7-6-21-14-22(9-11-35(21,4)23(24)10-12-36(37,39)5)50-34-32(30(44)28(42)25(16-40)51-34)52-33-31(45)29(43)27(41)19(2)49-33/h6,18-20,22-34,40-47H,7-17H2,1-5H3/t18-,19+,20-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35+,36+,37-,38-,39-/m1/s1
InChIKey
DGFVATVOFRGGFO-IPRUERMDSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.95
Rotatable bonds
5
H-bond acceptors
14
H-bond donors
8
Molar refractivity
184.48
TPSA
217.22

LogP / Solubility

WLOGP
0.62
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

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)
-6.88

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

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