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CAS 61548-34-3 Verbasoside molecular structure lightbox
CAS RN: 61548-34-3

Verbasoside

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251020 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1mg Out of stock Inquiry
  • Product code: starshine_CAS61548-34-3
  • Purity/Analytical Methods: >99.0%
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61548-34-3 / (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 61548-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61548-34-3
Multi CAS
Yes
Molecular Formula
C20H30O12
Molecular Weight
462.400000
Exact Mass
462.173726
InChI
InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16+,17+,18-,19+,20-/m0/s1
InChIKey
DORPKYRPJIIARM-GYAWPQPFSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
12
H-bond donors
8
Molar refractivity
104.42
TPSA
198.76

LogP / Solubility

WLOGP
-2.69
MLOGP
-2.34
XLogP3
-1.9
Consensus LogP
-2.31
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-7.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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