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CAS 61617-29-6 Oleanolic acid-3-O-beta-D-xylopyranoside molecular structure lightbox
CAS RN: 61617-29-6

Oleanolic acid-3-O-beta-D-xylopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS61617-29-6
  • Purity/Analytical Methods: >99.0%
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61617-29-6 / 2,2,6a,6b,9,9,12a-heptamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Standard CAS: 61617-29-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61617-29-6
Multi CAS
Yes
Molecular Formula
C35H56O7
Molecular Weight
588.800000
Exact Mass
588.402604
InChI
InChI=1S/C35H56O7/c1-30(2)14-16-35(29(39)40)17-15-33(6)20(21(35)18-30)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-34(24,33)7)42-28-27(38)26(37)22(36)19-41-28/h8,21-28,36-38H,9-19H2,1-7H3,(H,39,40)/t21-,22+,23-,24+,25-,26-,27+,28-,32-,33+,34+,35-/m0/s1
InChIKey
HZLWUYJLOIAQFC-SMRQUVCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
159.31
TPSA
116.45

LogP / Solubility

WLOGP
5.7
MLOGP
5.06
XLogP3
6
Consensus LogP
5.59
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.58
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
Yes
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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