Name: Cassiaside C2
Rating: 5 (10 reviews)

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HIT ID:HIT219507155
Cas No:1958039-40-1
常用名:Cassiaside C2
别名:1H-Naphtho[2,3-c]pyran-1-one, 9-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-10-hydroxy-7-methoxy-3-methyl- (ACI)
别名:1H-Naphtho[2,3-c]pyran-1-one, 9-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-10-hydroxy-7-methoxy-3-methyl- (ACI)
IUPAC:9-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-10-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one
IUPAC:9-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-10-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one
InChI key:YZUHNKPHJJDLQQ-XVRRVUIKSA-N

分子式:C39H52O25
分子量:920.82
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc(C)oc3=O)cc2c1
SMILES:COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc(C)oc3=O)cc2c1

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