| Properties | Image |
|---|
| MNX_ID | MNXM1181317 |
 |
| reference | envipathM:...8ac73cd93e0b |
| formula | C37H65NO15 |
| global charge | 0 |
| mol weight | 763.919 |
| InChIKey | PQWHMIZDTAWYJG-DZEHZIEKSA-N |
| InChI | InChI=1S/C37H65NO15/c1-14-23-35(8,45)27(41)20(4)25(39)18(2)16-33(6,44)30(53-29-26(40)22(38(11)12)15-19(3)49-29)36(9,46)31(37(10,47)32(43)51-23)52-24-17-34(7,48-13)28(42)21(5)50-24/h18-24,26,28-31,40,42,44-47H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,26-,28+,29+,30+,31+,33-,34-,35-,36+,37+/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@@](C)(O)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@](C)(O)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)C(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-14-23-35(8,45)27(41)20(4)25(39)18(2)16-33(6,44)30(53-29-26(40)22(38(11)12)15-19(3)49-29)36(9,46)31(37(10,47)32(43)51-23)52-24-17-34(7,48-13)28(42)21(5)50-24/h18-24,26,28-31,40,42,44-47H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,26-,28+,29+,30+,31+,33-,34-,35-,36+,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@@H:23]1[C@@:35]([CH3:8])([OH:45])[C:27](=[O:41])[C@@H:20]([CH3:4])[C:25](=[O:39])[C@H:18]([CH3:2])[CH2:16][C@@:33]([CH3:6])([OH:44])[C@H:30]([O:53][C@H:29]2[C@H:26]([OH:40])[C@@H:22]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:19]([CH3:3])[O:49]2)[C@:36]([CH3:9])([OH:46])[C@H:31]([O:52][C@H:24]2[CH2:17][C@@:34]([CH3:7])([O:48][CH3:13])[C@@H:28]([OH:42])[C@H:21]([CH3:5])[O:50]2)[C@:37]([CH3:10])([OH:47])[C:32](=[O:43])[O:51]1 |
|