BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022516

Sitoindoside IV

Formula: C57H100O12  |  Mol. Weight: 977.40 g/mol

IUPAC: [2-[[6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5,6-tetrahydroxycyclohexyl] hexadecanoate

3D View Find Similar

Overview

Molecular Formula C57H100O12
Molecular Weight 977.40 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(C1OCC2C(C(C(C(O2)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCC(CC)C(C)C)C)C)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy