HIT ID: HIT218678217

Cas No:

分子式: C28H24O9

分子量: 504.491

常用名: 5,11,13,17,19-pentahydroxy-15,22-dioxo-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxylic acid, Bequinostatin A

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 5,11,13,17,19-pentahydroxy-15,22-dioxo-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxylic acid

SMILES: CCCCCc1cc2CC(O)c3c(O)c4C(=O)c5c(O)cc(O)cc5C(=O)c4cc3-c2c(O)c1C(O)=O

InChI key: RKXRXHADKSOULC-UHFFFAOYSA-N