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CAS 927812-23-5 Glochicoccin D molecular structure lightbox
CAS RN: 927812-23-5

Glochicoccin D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS927812-23-5
  • Purity/Analytical Methods: >99.0%
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927812-23-5 / (2S,3aR,4S,4'S,5'R,6S,7aR)-3a,4-dihydroxy-4'-(4-hydroxybenzoyl)oxy-5'-methyl-3-oxospiro[5,6,7,7a-tetrahydro-4H-1-benzofuran-2,2'-oxane]-6-carboxylic acid

Standard CAS: 927812-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
927812-23-5
Multi CAS
Yes
Molecular Formula
C21H24O10
Molecular Weight
436.400000
Exact Mass
436.136947
InChI
InChI=1S/C21H24O10/c1-10-9-29-20(8-14(10)30-18(26)11-2-4-13(22)5-3-11)19(27)21(28)15(23)6-12(17(24)25)7-16(21)31-20/h2-5,10,12,14-16,22-23,28H,6-9H2,1H3,(H,24,25)/t10-,12+,14+,15+,16-,20+,21-/m1/s1
InChIKey
ABMLTSFSLUQUFY-XUAJAPSHSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
4
Molar refractivity
100.97
TPSA
159.82

LogP / Solubility

WLOGP
0.22
MLOGP
0.23
XLogP3
0.4
Consensus LogP
0.28
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-5.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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