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CAS 135293-13-9 2′-O-RHAMNOSYLICARISIDE II molecular structure lightbox
CAS RN: 135293-13-9

2′-O-RHAMNOSYLICARISIDE II

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260117 5mg Out of stock 30 business days Inquiry
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Batchno.20250711 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS135293-13-9
  • Purity/Analytical Methods: >99.0%
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135293-13-9 / 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

Standard CAS: 135293-13-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135293-13-9
Multi CAS
No
Molecular Formula
C33H40O14
Molecular Weight
660.700000
Exact Mass
660.241806
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CC=C(C)C)C5=CC=C(C=C5)OC)C)O)O)O)O)O
InChI
InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14-,15-,22-,23-,25+,26+,27+,31+,32-,33-/m0/s1
InChIKey
TVBJKPLTBPGHDJ-ZJTKNEERSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
7
Molar refractivity
165.14
TPSA
217.97

LogP / Solubility

WLOGP
1.45
MLOGP
1.33
XLogP3
2.4
Consensus LogP
1.73
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.12
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)
-5.72

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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