8-C-beta-D-Glucopyranosyldiosmetin 2''-O-rhamnoside

Properties Image MNX_ID MNXM39278 reference lipidmapsM:LMPK12110804 formula C28H32O15 global charge 0 mol weight 608.549 InChIKey TZPXUQWBAIYNEA-VVVHOGNVSA-N InChI InChI=1S/C28H32O15/c1-9-20(34)22(36)24(38)28(40-9)43-27-23(37)21(35)17(8-29)42-26(27)19-13(32)6-12(31)18-14(33)7-16(41-25(18)19)10-3-4-15(39-2)11(30)5-10/h3-7,9,17,20-24,26-32,34-38H,8H2,1-2H3/t9-,17+,20-,21+,22+,23-,24+,26-,27+,28-/m0/s1 SMILES COC1=CC=C(C2=CC(=O)C3=C(O2)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)=C(O)C=C3O)C=C1O MNX internals InChI (mnx) InChI=1/C28H32O15/c1-9-20(34)22(36)24(38)28(40-9)43-27-23(37)21(35)17(8-29)42-26(27)19-13(32)6-12(31)18-14(33)7-16(41-25(18)19)10-3-4-15(39-2)11(30)5-10/h3-7,9,17,20-24,26-32,34-38H,8H2,1-2H3/t9-,17+,20-,21+,22+,23-,24+,26-,27+,28-/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[C@H:20]([OH:34])[C@@H:22]([OH:36])[C@@H:24]([OH:38])[C@H:28]([O:43][C@@H:27]2[C@@H:23]([OH:37])[C@H:21]([OH:35])[C@@H:17]([CH2:8][OH:29])[O:42][C@H:26]2[C:19]2=[C:13]([OH:32])[CH:6]=[C:12]([OH:31])[C:18]3=[C:25]2[O:41][C:16]([C:10]2=[CH:5][C:11]([OH:30])=[C:15]([O:39][CH3:2])[CH:4]=[CH:3]2)=[CH:7][C:14]3=[O:33])[O:40]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0