Name: 14-Hydroxy sprengerinin C
Rating: 5 (10 reviews)

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HIT ID:HIT212661466
Cas No:1111088-89-1
常用名:14-Hydroxy sprengerinin C
别名:14-羟基麦冬皂苷C, 14-羟基麦冬皂苷 C
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1'R,2R,2'R,4'S,5R,7'S,8'R,9'R,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'-en-2'-oloxy]-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1'R,2R,2'R,4'S,5R,7'S,8'R,9'R,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'-en-2'-oloxy]-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:AONBXCCYURJCAY-LSXBRKLISA-N

分子式:C44H70O17
分子量:871.027
氢键供体数 (HBD):9
氢键受体数 (HBA):17
LogP:0.13790338
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([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@]1([H])O[C@H](CO)[C@@H](O[C@]2([H])OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@]1([H])O[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([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@]1([H])O[C@H](CO)[C@@H](O[C@]2([H])OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:8|

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