HIT ID: HIT218832842

Cas No:

分子式: C39H42N2O18

分子量: 826.761

常用名: 2-{[10-({5-amino-3-hydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2,5,11,17-tetrahydroxy-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl]formamido}propanoic acid, Benanomicin B

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-{[10-({5-amino-3-hydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2,5,11,17-tetrahydroxy-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl]formamido}propanoic acid

SMILES: COc1cc(O)c2C(=O)c3cc4C(O)C(OC5OC(C)C(N)C(OC6OCC(O)C(O)C6O)C5O)c5cc(C)c(C(=O)NC(C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1

InChI key: IHIIRQILYAXIOH-UHFFFAOYSA-N