GCIS
GlobalChemical Inventory Search
3-[[6-O-(6-Deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS Number: 85122-22-1
IUPAC name: 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular formula: C28H32O17
Molecular weight: 640.5
InChI: InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(43-14)45-26-19(35)15-12(31)6-13(40-2)18(34)25(15)44-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3/t8-,14+,16-,17+,20+,21-,22+,23+,27+,28-/m0/s1
InChIKey: AWDJLPGVCMQRAF-IHXONYQQSA-N
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C3=O)C(=CC(=C4O)OC)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
EINECS: -
