Ophiogenin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
HIT212661208
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HIT ID: HIT212661208
Cas No: 128502-94-3
分子式: C39H62O14
分子量: 754.911
常用名: Ophiogenin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
常用名: Ophiogenin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
氢键受体数 (HBA): 14
氢键供体数 (HBD): 8
LogP: 0.61404467
IUPAC: (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2R,2'R,4'S,5R,7'S,8'S,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-2',8'-dioloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC: (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2R,2'R,4'S,5R,7'S,8'S,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-2',8'-dioloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
SMILES: [H][C@]12C[C@@]3(O)[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(O)[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:8|
SMILES: [H][C@]12C[C@@]3(O)[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(O)[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:8|
InChI key: DGFVATVOFRGGFO-IPRUERMDSA-N
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