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
HIT218678217
sdf文件结构编辑类似物检索
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
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