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CAS 185145-33-9 Chrysin 6-C-arabinoside 8-C-glucoside molecular structure lightbox
CAS RN: 185145-33-9

Chrysin 6-C-arabinoside 8-C-glucoside

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 1mg / 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
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Batchno.20250226 1mg Out of stock Inquiry
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  • Product code: starshine_CAS185145-33-9
  • Purity/Analytical Methods: >99.0%
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185145-33-9 / 5,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Standard CAS: 185145-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185145-33-9
Multi CAS
No
Molecular Formula
C26H28O13
Molecular Weight
548.500000
Exact Mass
548.152991
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)16-20(33)15(25-22(35)17(30)11(29)8-37-25)19(32)14-10(28)6-12(38-24(14)16)9-4-2-1-3-5-9/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChIKey
NZZNHGSHLAHPCG-VYUBKLCTSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
13
H-bond donors
9
Molar refractivity
130.68
TPSA
230.74

LogP / Solubility

WLOGP
-1.46
MLOGP
-1.24
XLogP3
-1.8
Consensus LogP
-1.5
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.49
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)
-7.1

Drug-likeness / Medicinal Chemistry

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

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