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CAS 174284-20-9 Apigenin 7-O-(2G-rhaMnosyl)gentiobioside molecular structure lightbox
CAS RN: 174284-20-9

Apigenin 7-O-(2G-rhaMnosyl)gentiobioside

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 10mg Out of stock Inquiry
  • Product code: starshine_CAS174284-20-9
  • Purity/Analytical Methods: >99.0%
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174284-20-9 / 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 174284-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174284-20-9
Multi CAS
No
Molecular Formula
C33H40O19
Molecular Weight
740.700000
Exact Mass
740.216379
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O
InChI
InChI=1S/C33H40O19/c1-11-22(38)25(41)29(45)32(47-11)52-30-27(43)24(40)20(10-46-31-28(44)26(42)23(39)19(9-34)50-31)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(35)5-3-12/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3/t11-,19+,20+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+/m0/s1
InChIKey
LXOPDILLGIDKLW-KDGNLIIISA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
9
H-bond acceptors
19
H-bond donors
11
Molar refractivity
169.5
TPSA
308.12

LogP / Solubility

WLOGP
-3.27
MLOGP
-2.82
XLogP3
-2.4
Consensus LogP
-2.83
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.84
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)
-9.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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