NCS
China New Chemical Substance Search
Quercetin 3-O-beta-D-glucose-7-O-beta-D-gentiobioside
槲皮素-3-O-beta-D-葡萄糖-7-O-beta-D-龙胆双糖苷, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5-hydroxy-, 2-(3,4-Dihydroxyphenyl)-7-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside, Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobioside
CAS Number: 60778-02-1
IUPAC name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular formula: C33H40O22
Molecular weight: 788.657
InChI: InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-8-17-21(41)25(45)27(47)32(54-17)50-10-4-13(38)18-14(5-10)51-29(9-1-2-11(36)12(37)3-9)30(22(18)42)55-33-28(48)24(44)20(40)16(7-35)53-33/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1
InChIKey: VUTMUSRYWYUQIK-GZIDCZEMSA-N
SMILES: -
EINECS: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O
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