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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007426

Dregeoside Aa1

Formula: C49H78O17  |  Mol. Weight: 939.10 g/mol

IUPAC: [(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate

Overview

Molecular Formula C49H78O17
Molecular Weight 939.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6C(CC=C5C4)C7(CCC(C7(C(C6OC(=O)C)OC(=O)CC(C)C)C)C(=O)C)O)C)C)C)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy