HIT ID: HIT100158474

Cas No: 511-89-7

分子式: C21H26O12

分子量: 470.427

常用名: Plumieride

氢键受体数 (HBA): 10

氢键供体数 (HBD): 5

LogP: -1.637

IUPAC: methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]21OC(=O)C(=C1)[C@H](C)O |c:24,31,t:4|

InChI key: AOPMSFXOYJXDNJ-IRFSQMTFSA-N