CAS RN: 1041631-93-9
Kuguaglycoside C
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1041631-93-9
- Purity/Analytical Methods: >99.0%
1041631-93-9 / (3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
RRB63193
Basic Information
CAS
1041631-93-9
Multi CAS
Yes
Molecular Formula
C36H56O8
Molecular Weight
616.800000
Exact Mass
616.397519
SMILES
C[C@H](C/C=C/C(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2[C@H](C=C4[C@H]3CC[C@@H](C4(C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=O)C)C
InChI
InChI=1S/C36H56O8/c1-20(2)9-8-10-21(3)22-13-14-35(7)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(11-12-27(39)33(24,4)5)36(31,19-38)16-15-34(22,35)6/h8-9,17,19,21-23,25-32,37,39-42H,1,10-16,18H2,2-7H3/b9-8+/t21-,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1
InChIKey
OMBHCPPEZFBPJG-ZBAJYRRDSA-N
Synonyms
RRB63193
Computed Properties
Structural Parameters
Heavy atom count
44
Fraction Csp3
0.81
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
5
Molar refractivity
167.13
TPSA
136.68
LogP / Solubility
WLOGP
4.09
MLOGP
3.64
XLogP3
4.8
Consensus LogP
4.18
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
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
Yes
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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