Description
IUPAC Name: 1-hydroxy-2,6-dimethoxy-8-[(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]oxyxanthen-9-one
InChI: InChI=1S/C27H32O16/c1-37-9-5-12-16(21(32)17-10(40-12)3-4-11(38-2)18(17)29)13(6-9)41-27-25(36)23(34)20(31)15(43-27)8-39-26-24(35)22(33)19(30)14(7-28)42-26/h3-6,14-15,19-20,22-31,33-36H,7-8H2,1-2H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey: MMZOSEKWRIIWQX-ONMHTNRHSA-N
Canonical SMILES: COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O
Isomeric SMILES: COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)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: 1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone; 487040-33-5; HY-N11545; DA-49189; CS-0649355
Botanical Source: