2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one



Compound number:
MolPort-044-726-612
CAS number: 18016-58-5
IUPAC:
2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
IUPAC traditional:
2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
SMILES:
C[C@H]1O[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O
InChI key:
OTUCXMIQUNROBJ-MRXRVBGJSA-N
Molecular formula:
C27H30O16
Molecular weight: 610.521
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-044-726-612
CAS number: 18016-58-5

Names, Synonyms and 3rd Party Identifiers
Quercetin 3-O-glucoside-7-O-rhamnoside

InChI
InChI: 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27-/m1/s1
InChI key: OTUCXMIQUNROBJ-MRXRVBGJSA-N

Calculated Properties
Molecular formula: C27H30O16
Molecular weight: 610.521

Other

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