| Properties | Image |
|---|
| MNX_ID | MNXM101857 |
 |
| reference | chebi:68378 |
| formula | C48H78O19 |
| global charge | 0 |
| mol weight | 959.133 |
| InChIKey | IYMDTUUDLAHXGD-HADMNRPSSA-N |
| InChI | InChI=1S/C48H78O19/c1-21-29(53)32(56)35(59)39(62-21)65-37-34(58)31(55)26(19-50)64-41(37)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(52)38(66-40-36(60)33(57)30(54)25(18-49)63-40)45(5,20-51)27(44)10-11-47(28,7)46(22,6)13-15-48/h8,21,23-41,49-60H,9-20H2,1-7H3/t21-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H78O19/c1-21-29(53)32(56)35(59)39(62-21)65-37-34(58)31(55)26(19-50)64-41(37)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(52)38(66-40-36(60)33(57)30(54)25(18-49)63-40)45(5,20-51)27(44)10-11-47(28,7)46(22,6)13-15-48/h8,21,23-41,49-60H,9-20H2,1-7H3/t21-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:21]1[C@H:29]([OH:53])[C@@H:32]([OH:56])[C@@H:35]([OH:59])[C@H:39]([O:65][C@@H:37]2[C@@H:34]([OH:58])[C@H:31]([OH:55])[C@@H:26]([CH2:19][OH:50])[O:64][C@H:41]2[O:67][C:42]([C@:48]23[CH2:14][CH2:12][C:43]([CH3:2])([CH3:3])[CH2:16][C@H:23]2[C:22]2=[CH:8][CH2:9][C@@H:28]4[C@@:44]5([CH3:4])[CH2:17][C@@H:24]([OH:52])[C@H:38]([O:66][C@H:40]6[C@H:36]([OH:60])[C@@H:33]([OH:57])[C@H:30]([OH:54])[C@@H:25]([CH2:18][OH:49])[O:63]6)[C@@:45]([CH3:5])([CH2:20][OH:51])[C@@H:27]5[CH2:10][CH2:11][C@@:47]4([CH3:7])[C@:46]2([CH3:6])[CH2:13][CH2:15]3)=[O:61])[O:62]1 |
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