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CAS 32207-10-6 Heraclel 3′-O-beta-D-glucopyraside molecular structure lightbox
CAS RN: 32207-10-6

Heraclel 3′-O-beta-D-glucopyraside

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 5mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS32207-10-6
  • Purity/Analytical Methods: >99.0%
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32207-10-6 / 9-[(2R)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one

Standard CAS: 32207-10-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32207-10-6
Multi CAS
Yes
Molecular Formula
C22H26O11
Molecular Weight
466.400000
Exact Mass
466.147512
InChI
InChI=1S/C22H26O11/c1-22(2,33-21-17(28)16(27)15(26)12(8-23)31-21)13(24)9-30-20-18-11(5-6-29-18)7-10-3-4-14(25)32-19(10)20/h3-7,12-13,15-17,21,23-24,26-28H,8-9H2,1-2H3/t12-,13-,15-,16+,17-,21+/m1/s1
InChIKey
CDKAMOZNCWECGP-DOKKCILGSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
5
Molar refractivity
112.69
TPSA
172.19

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.08
XLogP3
-0.3
Consensus LogP
-0.17
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-5.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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