Name: Hosenkoside B
Rating: 5 (10 reviews)

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HIT ID:HIT212729574
Cas No:156764-82-8
常用名:Hosenkoside B
IUPAC:(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,4aR,4bR,6'R,6aR,7R,8S,10aR,10bR,12aS)-8-{[(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}-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-hexadecahydro-1H-spiro[chrysene-2,3'-oxan]-6'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,4aR,4bR,6'R,6aR,7R,8S,10aR,10bR,12aS)-8-{[(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}-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-hexadecahydro-1H-spiro[chrysene-2,3'-oxan]-6'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:GBXXXUUAOFPGRP-FLOLCGAJSA-N

分子式:C48H82O20
分子量:979.164
氢键供体数 (HBD):13
氢键受体数 (HBA):20
LogP:-1.9945724
SMILES:C[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@H]2O)CO1
SMILES:C[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@H]2O)CO1

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