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CAS 15291-78-8 GINKGOLIDEM molecular structure lightbox
CAS RN: 15291-78-8

GINKGOLIDEM

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Batchno.20260601 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS15291-78-8
  • Purity/Analytical Methods: >99.0%
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15291-78-8 / (1S,6R,8S,9R,11R,12R,13R,16S,17S)-8-tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

Standard CAS: 15291-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15291-78-8
Multi CAS
No
Molecular Formula
C20H24O10
Molecular Weight
424.400000
Exact Mass
424.136947
SMILES
C[C@H]1[C@H]2[C@H]([C@@H]([C@@]34[C@]25C(=O)OC3[C@@H]([C@H](C46[C@H](C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O
InChI
InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1
InChIKey
KDKROYXEHCYLJQ-DDQXZYLESA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
10
H-bond donors
3
Molar refractivity
91.94
TPSA
148.82

LogP / Solubility

WLOGP
-1.51
MLOGP
-1.31
XLogP3
-0.3
Consensus LogP
-1.04
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-6.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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