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CAS 156042-22-7 vina-ginsenoside R8 molecular structure lightbox
CAS RN: 156042-22-7

vina-ginsenoside R8

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS156042-22-7
  • Purity/Analytical Methods: >99.0%
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156042-22-7 / 2-[4,5-dihydroxy-2-[[12-hydroxy-17-[6-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 156042-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156042-22-7
Multi CAS
No
Molecular Formula
C48H82O19
Molecular Weight
963.200000
Exact Mass
962.545030
SMILES
CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CC(C6C3(CCC6C(C)(CC=CC(C)(C)O)OC7C(C(C(C(O7)CO)O)O)O)C)O)C)C
InChI
InChI=1S/C48H82O19/c1-43(2,61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3
InChIKey
IAEZLXLDZBZQPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Fraction Csp3
0.96
Rotatable bonds
13
H-bond acceptors
19
H-bond donors
13
Molar refractivity
234.97
TPSA
318.37

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.84
XLogP3
0.8
Consensus LogP
-0.37
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble

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)
-9.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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