Ginsenoside Rs1
HIT217584084
sdf文件结构编辑类似物检索
HIT ID: HIT217584084
Cas No: 87733-67-3
分子式: C55H92O23
分子量: 1121.318
常用名: Ginsenoside Rs1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [6-({4,5-dihydroxy-2-[(11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-{6-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]hept-5-en-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
IUPAC: [6-({4,5-dihydroxy-2-[(11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-{6-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]hept-5-en-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
SMILES: CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C
SMILES: CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3CCC21C
InChI key: HAJTYGKLQDXTPO-UHFFFAOYSA-N
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