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CAS 149998-38-9 GeloMuloside A molecular structure lightbox
CAS RN: 149998-38-9

GeloMuloside A

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 5mg Out of stock 30 business days Inquiry
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Batchno.20260110 5mg Out of stock Inquiry
  • Product code: starshine_CAS149998-38-9
  • Purity/Analytical Methods: >99.0%
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149998-38-9 / 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Standard CAS: 149998-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149998-38-9
Multi CAS
No
Molecular Formula
C29H34O15
Molecular Weight
622.600000
Exact Mass
622.189770
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=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)OC)OC)CO)O)O)O)O)O
InChI
InChI=1S/C29H34O15/c1-11-20(32)23(35)25(37)28(40-11)44-27-24(36)21(33)18(10-30)42-29(27)43-26-17(39-3)9-16-19(22(26)34)14(31)8-15(41-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-25,27-30,32-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,27+,28-,29-/m0/s1
InChIKey
HFNIATQIKQCDMZ-VHVDPMTKSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
8
H-bond acceptors
15
H-bond donors
7
Molar refractivity
148.31
TPSA
227.2

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.64
XLogP3
0.1
Consensus LogP
-0.44
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-7.08

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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