CAS RN: 920502-42-7

Tenacigenoside A

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Batchno.20260514 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS920502-42-7
  • Purity/Analytical Methods: >99.0%
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920502-42-7 / 1-[(3R,6S,7S,8S,9S,10S,11S,14S,16S)-14-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone

Standard CAS: 920502-42-7 Multi CAS: Yes

Basic Information

CAS
920502-42-7
Multi CAS
Yes
Molecular Formula
C35H56O12
Molecular Weight
668.800000
Exact Mass
668.377177
InChI
InChI=1S/C35H56O12/c1-16(36)21-10-13-35-33(21,5)30(40)26(39)29-32(4)11-9-20(14-19(32)8-12-34(29,35)47-35)45-23-15-22(41-6)27(18(3)43-23)46-31-25(38)28(42-7)24(37)17(2)44-31/h17-31,37-40H,8-15H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34?,35-/m1/s1
InChIKey
WGOHWIVFCMYBJP-ZMFWOZTBSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.97
Rotatable bonds
7
H-bond acceptors
12
H-bond donors
4
Molar refractivity
164.89
TPSA
165.9

LogP / Solubility

WLOGP
1.85
MLOGP
1.69
XLogP3
0.7
Consensus LogP
1.41
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
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)
-5.48

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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