HIT100583393 - 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2^{14,17}.1^{19,23}.0^{3,8}.0^{7,12}.0^{29,33}]hexatriaconta-1(31),3(8),4,6,14,16,19,21,23(34),29,32,35-dodecaen-4-ol, N036-0102

sdf文件结构编辑类似物检索

HIT ID: HIT100583393

Cas No: -

分子式: C37H40N2O6

分子量: 608.735

常用名: 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2^{14,17}.1^{19,23}.0^{3,8}.0^{7,12}.0^{29,33}]hexatriaconta-1(31),3(8),4,6,14,16,19,21,23(34),29,32,35-dodecaen-4-ol, N036-0102

氢键受体数 (HBA): 8

氢键供体数 (HBD): 1

LogP: 5.2923

IUPAC: 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2^{14,17}.1^{19,23}.0^{3,8}.0^{7,12}.0^{29,33}]hexatriaconta-1(31),3(8),4,6,14,16,19,21,23(34),29,32,35-dodecaen-4-ol

SMILES: COc1ccc2CC3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6C(Cc7ccc(Oc1c2)cc7)N(C)CCc56)cc34

InChI key: CASHVZNATRNXDE-UHFFFAOYSA-N