| Properties | Image |
|---|
| MNX_ID | MNXM1193379 |
 |
| reference | envipathM:...c8f69f34edbd |
| formula | C37H65NO15 |
| global charge | 0 |
| mol weight | 763.919 |
| InChIKey | TVHWQUXRWAQNJU-ZKYCNZLASA-N |
| InChI | InChI=1S/C37H65NO15/c1-17-13-24(38(10)11)27(42)34(49-17)53-31-19(3)28(51-25-15-36(8,48-12)30(44)22(6)50-25)20(4)33(45)52-32(21(5)40)37(9,47)29(43)18(2)26(41)23(16-39)14-35(31,7)46/h17-20,22-25,27-32,34,39,42-44,46-47H,13-16H2,1-12H3/t17-,18+,19+,20-,22+,23+,24+,25+,27-,28+,29-,30+,31-,32-,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](CO)C(=O)[C@H](C)[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/C37H65NO15/c1-17-13-24(38(10)11)27(42)34(49-17)53-31-19(3)28(51-25-15-36(8,48-12)30(44)22(6)50-25)20(4)33(45)52-32(21(5)40)37(9,47)29(43)18(2)26(41)23(16-39)14-35(31,7)46/h17-20,22-25,27-32,34,39,42-44,46-47H,13-16H2,1-12H3/t17-,18+,19+,20-,22+,23+,24+,25+,27-,28+,29-,30+,31-,32-,34+,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:13][C@H:24]([N:38]([CH3:10])[CH3:11])[C@@H:27]([OH:42])[C@H:34]([O:53][C@@H:31]2[C@@H:19]([CH3:3])[C@H:28]([O:51][C@H:25]3[CH2:15][C@@:36]([CH3:8])([O:48][CH3:12])[C@@H:30]([OH:44])[C@H:22]([CH3:6])[O:50]3)[C@@H:20]([CH3:4])[C:33](=[O:45])[O:52][C@H:32]([C:21]([CH3:5])=[O:40])[C@@:37]([CH3:9])([OH:47])[C@H:29]([OH:43])[C@@H:18]([CH3:2])[C:26](=[O:41])[C@H:23]([CH2:16][OH:39])[CH2:14][C@@:35]2([CH3:7])[OH:46])[O:49]1 |
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