| Properties | Image |
|---|
| MNX_ID | MNXM1196125 |
 |
| reference | envipathM:...66d380c53165 |
| formula | C36H65NO15 |
| global charge | 0 |
| mol weight | 751.908 |
| InChIKey | QFOIXPRYPLJOIN-OAKKDGGHSA-N |
| InChI | InChI=1S/C36H65NO15/c1-12-23-36(9,46)28(41)20(5)27(40)33(6,44)16-34(7,45)30(52-32-25(39)21(37-10)13-17(2)48-32)18(3)26(19(4)31(43)50-23)51-24-14-35(8,47-11)29(42)22(15-38)49-24/h17-26,28-30,32,37-39,41-42,44-46H,12-16H2,1-11H3/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26+,28-,29+,30-,32+,33+,34-,35-,36-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](CO)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H65NO15/c1-12-23-36(9,46)28(41)20(5)27(40)33(6,44)16-34(7,45)30(52-32-25(39)21(37-10)13-17(2)48-32)18(3)26(19(4)31(43)50-23)51-24-14-35(8,47-11)29(42)22(15-38)49-24/h17-26,28-30,32,37-39,41-42,44-46H,12-16H2,1-11H3/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26+,28-,29+,30-,32+,33+,34-,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:23]1[C@@:36]([CH3:9])([OH:46])[C@H:28]([OH:41])[C@@H:20]([CH3:5])[C:27](=[O:40])[C@@:33]([CH3:6])([OH:44])[CH2:16][C@@:34]([CH3:7])([OH:45])[C@H:30]([O:52][C@H:32]2[C@H:25]([OH:39])[C@@H:21]([NH:37][CH3:10])[CH2:13][C@@H:17]([CH3:2])[O:48]2)[C@@H:18]([CH3:3])[C@H:26]([O:51][C@H:24]2[CH2:14][C@@:35]([CH3:8])([O:47][CH3:11])[C@@H:29]([OH:42])[C@H:22]([CH2:15][OH:38])[O:49]2)[C@@H:19]([CH3:4])[C:31](=[O:43])[O:50]1 |
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