Notoginsenoside R2

Properties Image MNX_ID MNXM128773 reference chebi:176314 formula C41H70O13 global charge 0 mol weight 770.998 InChIKey FNIRVWPHRMMRQI-PGOMJGFXSA-N InChI InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41-/m0/s1 SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C MNX internals InChI (mnx) InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41-/m0/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:13][C@@:41]([CH3:8])([C@H:21]1[CH2:11][CH2:15][C@:39]2([CH3:6])[C@@H:28]1[C@H:22]([OH:43])[CH2:16][C@@H:26]1[C@@:38]3([CH3:5])[CH2:14][CH2:12][C@H:27]([OH:45])[C:37]([CH3:3])([CH3:4])[C@@H:34]3[C@@H:24]([O:52][C@H:36]3[C@H:33]([O:54][C@H:35]4[C@H:32]([OH:49])[C@@H:29]([OH:46])[C@H:23]([OH:44])[CH2:19][O:51]4)[C@@H:31]([OH:48])[C@H:30]([OH:47])[C@@H:25]([CH2:18][OH:42])[O:53]3)[CH2:17][C@:40]12[CH3:7])[OH:50]

Parent-child relations graph

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