HIT218679346 - 2-{[1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-17-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-14-oxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{18,21}]henicosan-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol, Notoginsenoside L13

sdf文件结构编辑类似物检索

HIT ID: HIT218679346

Cas No:

分子式: C47H78O17

分子量: 915.124

常用名: 2-{[1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-17-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-14-oxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{18,21}]henicosan-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol, Notoginsenoside L13

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-{[1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-17-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-14-oxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{18,21}]henicosan-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: CC(C)=CC1CC(C)(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)O1

InChI key: OIXGCEPBMJMDRD-UHFFFAOYSA-N