[email protected]
CAS 58798-95-1 Bacoside A2 molecular structure lightbox
CAS RN: 58798-95-1

Bacoside A2

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS58798-95-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

58798-95-1 / 2-[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-[3,4-dihydroxy-5-[[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxolan-2-yl]ethoxy]oxane-3,4,5-triol

Standard CAS: 58798-95-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58798-95-1
Multi CAS
Yes
Molecular Formula
C46H74O17
Molecular Weight
899.100000
Exact Mass
898.492601
InChI
InChI=1S/C46H74O17/c1-21(2)14-22-16-58-46-19-45(20-59-46)23(37(46)44(22,7)55)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)62-40-35(54)32(51)36(63-40)26(61-38-33(52)30(49)24(48)17-56-38)18-57-39-34(53)31(50)25(15-47)60-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3
InChIKey
MOTXTNHNHWTPDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Fraction Csp3
0.96
Rotatable bonds
10
H-bond acceptors
17
H-bond donors
9
Molar refractivity
218.78
TPSA
255.91

LogP / Solubility

WLOGP
0.46
MLOGP
0.49
XLogP3
1.5
Consensus LogP
0.82
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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)
-7.88

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

Customers Also Viewed

Get In Touch

Contact Us