Catalog Number:
AG000BUM
Chemical Name:
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-
CAS Number:
116183-66-5
Molecular Formula:
C28H32O16
Molecular Weight:
624.5441
MDL Number:
MFCD20527287
IUPAC Name:
5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
InChI:
InChI=1S/C28H32O16/c1-39-12-6-13(31)17-14(7-12)41-25(26(20(17)34)44-28-24(38)22(36)19(33)16(9-30)43-28)10-2-4-11(5-3-10)40-27-23(37)21(35)18(32)15(8-29)42-27/h2-7,15-16,18-19,21-24,27-33,35-38H,8-9H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
InChI Key:
KKPKUPKKMALLKG-QDYVESOYSA-N
SMILES:
COc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(cc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
