[email protected]
CAS 114240-18-5 Pueraria glycoside 2 molecular structure lightbox
CAS RN: 114240-18-5

Pueraria glycoside 2

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS114240-18-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

114240-18-5 / 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one

Pueraria glycoside 2 | RefChem:1097153 | 7-hydroxy-3-(4-hydroxyphenyl)-8-((2S,5S,6S)-3,4,5-trihydroxy-6-(((2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxan-2-yl)chromen-4-one

Standard CAS: 114240-18-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114240-18-5
Multi CAS
Yes
Molecular Formula
C26H28O13
Molecular Weight
548.500000
Exact Mass
548.152991
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1
InChIKey
YCFQXQCEEPCZMO-KATYHMCLSA-N
Synonyms
Pueraria glycoside 2 RefChem:1097153 7-hydroxy-3-(4-hydroxyphenyl)-8-((2S,5S,6S)-3,4,5-trihydroxy-6-(((2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxan-2-yl)chromen-4-one Puerarin 6''-O-xyloside CHEMBL5196038

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
13
H-bond donors
8
Molar refractivity
130.6
TPSA
219.74

LogP / Solubility

WLOGP
-1.15
MLOGP
-0.97
XLogP3
-2.1
Consensus LogP
-1.41
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-6.88

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us