Dulcoside A

Properties Image MNX_ID MNXM125135 reference chebi:186967 formula C38H60O17 global charge 0 mol weight 788.881 InChIKey CANAPGLEBDTCAF-NTIPNFSCSA-N InChI InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1 SMILES C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C3 MNX internals InChI (mnx) InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1 SMILES (mnx) [CH2:1]=[C:16]1[CH2:12][C@@:37]23[CH2:10][CH2:6][C@H:20]4[C@@:35]([CH3:3])([CH2:8][CH2:5][CH2:9][C@@:36]4([CH3:4])[C:34](=[O:49])[O:54][C@H:32]4[C@H:29]([OH:48])[C@@H:26]([OH:45])[C@H:23]([OH:42])[C@@H:18]([CH2:13][OH:39])[O:51]4)[C@@H:21]2[CH2:7][CH2:11][C@:38]1([O:55][C@H:33]1[C@H:30]([O:53][C@H:31]2[C@H:28]([OH:47])[C@H:25]([OH:44])[C@@H:22]([OH:41])[C@H:17]([CH3:2])[O:50]2)[C@@H:27]([OH:46])[C@H:24]([OH:43])[C@@H:19]([CH2:14][OH:40])[O:52]1)[CH2:15]3

Parent-child relations graph

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