Name: Petunidin 3-Rutinose(trans-pCoumaryl)glucoside-5-glucoside
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HIT ID:HIT219228952
Cas No:232617-18-4
常用名:Petunidin 3-Rutinose(trans-pCoumaryl)glucoside-5-glucoside
常用名:Petunidin 3-Rutinose(trans-pCoumaryl)glucoside-5-glucoside
IUPAC:2-(3,4-dihydroxy-5-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
IUPAC:2-(3,4-dihydroxy-5-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
InChI key:KMAJOOLDJBGTOF-CKNHDGKSSA-O

分子式:C49H59O28
分子量:1095.982
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2cc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](OC(=O)\C=C\c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
SMILES:COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2cc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](OC(=O)\C=C\c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Petunidin 3-Rutinose(trans-pCoumaryl)glucoside-5-glucoside 是一种天然产物，可用作天然产物对照品，用于生命科学相关领域的研究，其产品编号为 TN8648。

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