APIGENIN-7-DIGLUCURONIDE

74696-01-8

MFCD04039810

C27 H26 O17

622.485

InChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)12-7-11(29)15-13(41-12)5-10(40-26-20(34)16(30)18(32)22(43-26)24(36)37)6-14(15)42-27-21(35)17(31)19(33)23(44-27)25(38)39/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26?,27?/m0/s1

InChIKey=QYOCHHVLSDCQCN-GKKHVXDVSA-N

c1cc(ccc1c2cc(=O)c3c(o2)cc(cc3OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O

H bond donor:9

H bond acceptor:17

XLogP3:-3.0

Bulk/Fine:F