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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024405

Hoduloside IX

Formula: C52H86O22  |  Mol. Weight: 1063.20 g/mol

IUPAC: 17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,4,8,10-tetramethyl-14-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

Overview

Molecular Formula C52H86O22
Molecular Weight 1063.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(C(=O)CC6(C5(CCC4C3(C)C)C)COC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C(C)(CC=CC(C)(C)O)O)C)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy