Description
IUPAC Name: 5-hydroxy-2-phenyl-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
InChI: InChI=1S/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey: XGMGGAPZYUWNMO-IPOZFMEPSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O
Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=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
Synonyms: Chrysin 7-O-beta-gentiobioside; 88640-89-5; 5-hydroxy-2-phenyl-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; Chrysin 7-O-; A-gentiobioside; Chrysin7-O-beta-gentiobioside; 5-hydroxy-2-phenyl-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]oxy}methyl)oxan-2-yl]oxy}chromen-4-one; Chrysin 7-O-beat-gentiobioside; …
Botanical Source: