CAS RN: 52012-29-0
APIGENIN-6-ARABINOSIDE-8-GLUCOSIDE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS52012-29-0
- Purity/Analytical Methods: >99.0%
52012-29-0 / 5,7-dihydroxy-2-(4-hydroxyphenyl)-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
Basic Information
CAS
52012-29-0
Multi CAS
Yes
Molecular Formula
C26H28O14
Molecular Weight
564.500000
Exact Mass
564.147906
InChI
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChIKey
OVMFOVNOXASTPA-VYUBKLCTSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
14
H-bond donors
10
Molar refractivity
132.35
TPSA
250.97
LogP / Solubility
WLOGP
-1.75
MLOGP
-1.5
XLogP3
-2.2
Consensus LogP
-1.82
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-7.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
