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CAS 819870-23-0 Macarangioside D molecular structure lightbox
CAS RN: 819870-23-0

Macarangioside D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS819870-23-0
  • Purity/Analytical Methods: >99.0%
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819870-23-0 / (4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one

Standard CAS: 819870-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
819870-23-0
Multi CAS
No
Molecular Formula
C19H30O8
Molecular Weight
386.400000
Exact Mass
386.194068
InChI
InChI=1S/C19H30O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h4-6,10,13-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t10-,13-,14+,15+,16-,17+,18+/m0/s1
InChIKey
AURHKHAKYLTFJN-DSFNCLLUSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.74
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
95.52
TPSA
136.68

LogP / Solubility

WLOGP
-0.72
MLOGP
-0.61
XLogP3
-1.2
Consensus LogP
-0.84
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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