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CAS 173792-61-5 Kudinoside D molecular structure lightbox
CAS RN: 173792-61-5

Kudinoside D

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 10mg In stock Shanghai Inquiry
Batchno.20260620 1mg In stock Shanghai Inquiry
Batchno.20250720 25mg Out of stock Inquiry
Batchno.20260623 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS173792-61-5
  • Purity/Analytical Methods: >99.0%
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173792-61-5 / (1R,4S,5R,10S,13S,19S,20S)-19-hydroxy-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosa-15,17-dien-22-one

Standard CAS: 173792-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173792-61-5
Multi CAS
No
Molecular Formula
C47H72O17
Molecular Weight
909.100000
Exact Mass
908.476951
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4(C(C3(C)C)CC[C@@]5(C4C=CC6=C7[C@]([C@@]8(CC[C@@]7(CC[C@]65C)C(=O)O8)C)(C)O)C)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O
InChI
InChI=1S/C47H72O17/c1-21-28(50)30(52)32(54)37(59-21)63-35-34(62-38-33(55)31(53)29(51)24(19-48)60-38)23(49)20-58-39(35)61-27-12-13-42(4)25(41(27,2)3)11-14-44(6)26(42)10-9-22-36-46(8,57)45(7)16-18-47(36,40(56)64-45)17-15-43(22,44)5/h9-10,21,23-35,37-39,48-55,57H,11-20H2,1-8H3/t21-,23-,24+,25?,26?,27-,28-,29+,30+,31-,32+,33+,34-,35+,37-,38-,39-,42-,43+,44+,45-,46-,47+/m0/s1
InChIKey
ROLIIKCIEQNTMT-RWGSZDQYSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
17
H-bond donors
9
Molar refractivity
222.23
TPSA
263.75

LogP / Solubility

WLOGP
0.86
MLOGP
0.84
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
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)
-7.66

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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