Ginsenoside Rh8
HIT214320519
sdf文件结构编辑类似物检索
HIT ID: HIT214320519
Cas No: 343780-69-8
分子式: C36H60O9
分子量: 636.867
常用名: Ginsenoside Rh8
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11aR)-5,7-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-11-one
IUPAC: (1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11aR)-5,7-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-11-one
SMILES: [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6](=O)-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6@@H](-[#8])-[#6][C@@]21[#6])[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
SMILES: [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6](=O)-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6@@H](-[#8])-[#6][C@@]21[#6])[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
InChI key: VGJOYFZLAIERID-CVQXJYBDSA-N
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