Karaviloside X
HIT214317287
sdf文件结构编辑类似物检索
HIT ID: HIT214317287
Cas No: 934739-34-1
分子式: C42H68O14
分子量: 796.992
常用名: Karaviloside X
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4R,5S,6R)-2-{[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2S)-3-hydroxy-6-methyl-4-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2R,3R,4R,5S,6R)-2-{[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2S)-3-hydroxy-6-methyl-4-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: [H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]=[#6][C@@]45[#8]-[#6][C@]3([#6]-[#6][C@]12[#6])[C@]4([H])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8])C5([#6])[#6])[#6@H](-[#6])-[#6](-[#8])-[#6](-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8])\[#6]=[#6](\[#6])-[#6] |c:8|
SMILES: [H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]=[#6][C@@]45[#8]-[#6][C@]3([#6]-[#6][C@]12[#6])[C@]4([H])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8])C5([#6])[#6])[#6@H](-[#6])-[#6](-[#8])-[#6](-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8])\[#6]=[#6](\[#6])-[#6] |c:8|
InChI key: UVPDCWZQGLOBOB-WZLYLOCQSA-N
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