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CAS 52714-82-6 luteolin-7-O-α-L-arabinopyranosyl (1→6)-β-D-glucopyranoside molecular structure lightbox
CAS RN: 52714-82-6

luteolin-7-O-α-L-arabinopyranosyl (1→6)-β-D-glucopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52714-82-6
  • Purity/Analytical Methods: >99.0%
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52714-82-6 / 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Standard CAS: 52714-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52714-82-6
Multi CAS
No
Molecular Formula
C26H28O15
Molecular Weight
580.500000
Exact Mass
580.142820
InChI
InChI=1S/C26H28O15/c27-11-2-1-9(3-12(11)28)16-6-14(30)19-13(29)4-10(5-17(19)40-16)39-26-24(36)22(34)21(33)18(41-26)8-38-25-23(35)20(32)15(31)7-37-25/h1-6,15,18,20-29,31-36H,7-8H2/t15-,18+,20-,21+,22-,23+,24+,25-,26+/m0/s1
InChIKey
QOYOSTICCWYNER-DTDZTTCYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
15
H-bond donors
9
Molar refractivity
133.94
TPSA
249.2

LogP / Solubility

WLOGP
-1.78
MLOGP
-1.52
XLogP3
-1.6
Consensus LogP
-1.63
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.67
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)
-7.53

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
9.5

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