| Properties | Image |
|---|
| MNX_ID | MNXM1198547 |
 |
| reference | envipathM:...366cc13dba6c |
| formula | C37H67NO15 |
| global charge | 0 |
| mol weight | 765.935 |
| InChIKey | QQOPTKABKQMFFI-ASZLSNHKSA-N |
| InChI | InChI=1S/C37H67NO15/c1-17-15-34(7,45)29(53-32-25(40)23(38(11)12)14-18(2)49-32)19(3)26(51-24-16-35(8,48-13)28(42)22(6)50-24)20(4)31(43)52-30(21(5)39)37(10,47)33(44)36(9,46)27(17)41/h17-26,28-30,32-33,39-40,42,44-47H,14-16H2,1-13H3/t17-,18-,19+,20-,21?,22+,23+,24+,25-,26+,28+,29-,30-,32+,33-,34-,35-,36-,37-/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@](C)(O)[C@@H](C(C)O)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO15/c1-17-15-34(7,45)29(53-32-25(40)23(38(11)12)14-18(2)49-32)19(3)26(51-24-16-35(8,48-13)28(42)22(6)50-24)20(4)31(43)52-30(21(5)39)37(10,47)33(44)36(9,46)27(17)41/h17-26,28-30,32-33,39-40,42,44-47H,14-16H2,1-13H3/t17-,18-,19+,20-,21?,22+,23+,24+,25-,26+,28+,29-,30-,32+,33-,34-,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:15][C@@:34]([CH3:7])([OH:45])[C@H:29]([O:53][C@H:32]2[C@H:25]([OH:40])[C@@H:23]([N:38]([CH3:11])[CH3:12])[CH2:14][C@@H:18]([CH3:2])[O:49]2)[C@@H:19]([CH3:3])[C@H:26]([O:51][C@H:24]2[CH2:16][C@@:35]([CH3:8])([O:48][CH3:13])[C@@H:28]([OH:42])[C@H:22]([CH3:6])[O:50]2)[C@@H:20]([CH3:4])[C:31](=[O:43])[O:52][C@H:30]([CH:21]([CH3:5])[OH:39])[C@@:37]([CH3:10])([OH:47])[C@H:33]([OH:44])[C@:36]([CH3:9])([OH:46])[C:27]1=[O:41] |
|