Vinaginsenoside R4
HIT213334292
sdf文件结构编辑类似物检索
HIT ID: HIT213334292
Cas No: 156009-80-2
分子式: C48H82O19
分子量: 963.165
常用名: Vinaginsenoside R4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]4-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]4-[#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@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]4-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]4-[#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: UOJAEODBOCLNBU-GYMUUCMZSA-N
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