Isoginsenoside Rh3
HIT214314537
sdf文件结构编辑类似物检索
HIT ID: HIT214314537
Cas No: 166040-90-0
分子式: C36H60O7
分子量: 604.869
常用名: Isoginsenoside Rh3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2E)-6-methylhepta-2,5-dien-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2E)-6-methylhepta-2,5-dien-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: [H][C@@]12[#6@H](-[#6]-[#6][C@@]1([#6])[C@]1([#6])[#6]-[#6][C@@]3([H])C([#6])([#6])[#6@H](-[#6]-[#6][C@]3([#6])[C@@]1([H])[#6]-[#6@H]2-[#8])-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])-[#6](\[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6]
SMILES: [H][C@@]12[#6@H](-[#6]-[#6][C@@]1([#6])[C@]1([#6])[#6]-[#6][C@@]3([H])C([#6])([#6])[#6@H](-[#6]-[#6][C@]3([#6])[C@@]1([H])[#6]-[#6@H]2-[#8])-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])-[#6](\[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6]
InChI key: PHLXREOMFNVWOH-DNQFHFKUSA-N
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