Name: Hosenkoside C
Rating: 5 (10 reviews)

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HIT ID:HIT212665011
Cas No:156764-83-9
常用名:Hosenkoside C
别名:凤仙萜四醇苷C
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-2-{[(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}-7-hydroxy-8-[(3Z)-5-hydroxy-4-methylpent-3-en-1-yl]-8-(hydroxymethyl)-1,4a,10a,10b-tetramethyl-octadecahydrochrysen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-2-{[(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}-7-hydroxy-8-[(3Z)-5-hydroxy-4-methylpent-3-en-1-yl]-8-(hydroxymethyl)-1,4a,10a,10b-tetramethyl-octadecahydrochrysen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:QGMUCGXWCKWHRJ-PFRMLUNBSA-N

分子式:C48H82O20
分子量:979.164
氢键供体数 (HBD):14
氢键受体数 (HBA):20
LogP:-2.1387398
SMILES:C\C(CO)=C\CC[C@]1(CO)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4CC[C@@]23C)[C@H]1O
SMILES:C\C(CO)=C\CC[C@]1(CO)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4CC[C@@]23C)[C@H]1O

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