20(R)-Ginsenoside Rh2
HIT212035603
sdf文件结构编辑类似物检索
HIT ID: HIT212035603
Cas No: 112246-15-8
分子式: C36H62O8
分子量: 622.884
常用名: 20(R)-Ginsenoside Rh2
氢键受体数 (HBA): 8
氢键供体数 (HBD): 6
LogP: 3.7611022
IUPAC: (2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-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-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-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])[C@]([#6])([#8])[#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])[C@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
InChI key: CKUVNOCSBYYHIS-SUEBGMEDSA-N
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BB
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