CAS RN: 875057-87-7
Tenacissoside X
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.20250301 | 5mg / 10mg / 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS875057-87-7
- Purity/Analytical Methods: >99.0%
875057-87-7 / [3-[5-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
Basic Information
CAS
875057-87-7
Multi CAS
Yes
Molecular Formula
C61H96O27
Molecular Weight
1261.400000
Exact Mass
1260.613898
InChI
InChI=1S/C61H96O27/c1-27-48(34(75-7)22-40(78-27)81-33-16-17-57(5)32(21-33)15-18-60(73)38(57)24-39(84-53(71)31-13-11-10-12-14-31)58(6)59(72,30(4)64)19-20-61(58,60)74)85-41-23-35(76-8)49(28(2)79-41)86-56-47(70)52(77-9)50(29(3)80-56)87-55-46(69)44(67)51(37(26-63)83-55)88-54-45(68)43(66)42(65)36(25-62)82-54/h10-14,27-30,32-52,54-56,62-70,72-74H,15-26H2,1-9H3
InChIKey
MNADKAKBYPRBPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
88
Aromatic heavy atom count
6
Fraction Csp3
0.89
Rotatable bonds
18
H-bond acceptors
27
H-bond donors
12
Molar refractivity
298.84
TPSA
389.05
LogP / Solubility
WLOGP
-1.21
MLOGP
-0.94
XLogP3
-1.1
Consensus LogP
-1.08
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
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
No
Log Kp (skin permeation)
-11.27
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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