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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038120

Uralsaponin P

Formula: C42H64O16  |  Mol. Weight: 824.90 g/mol

IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,10R,11R,12aR,14aR,14bS)-11-carboxy-10-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

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Overview

Molecular Formula C42H64O16
Molecular Weight 824.90 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(C(C7)O)(C)C(=O)O)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy