| Properties | Image |
|---|
| MNX_ID | MNXM1193423 |
 |
| reference | envipathM:...b2e9ae4a2e72 |
| formula | C37H67NO15 |
| global charge | 0 |
| mol weight | 765.935 |
| InChIKey | XCVINBKNFYSJKJ-VJYIRWRUSA-N |
| InChI | InChI=1S/C37H67NO15/c1-14-23-34(8,44)27(40)21(4)26(39)19(2)15-32(6,43)29(52-25-18-37(47,38(11)12)16-20(3)49-25)35(9,45)30(36(10,46)31(42)51-23)53-24-17-33(7,48-13)28(41)22(5)50-24/h19-25,27-30,40-41,43-47H,14-18H2,1-13H3/t19-,20-,21+,22+,23-,24+,25+,27-,28+,29+,30+,32-,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]2C[C@@](O)(N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO15/c1-14-23-34(8,44)27(40)21(4)26(39)19(2)15-32(6,43)29(52-25-18-37(47,38(11)12)16-20(3)49-25)35(9,45)30(36(10,46)31(42)51-23)53-24-17-33(7,48-13)28(41)22(5)50-24/h19-25,27-30,40-41,43-47H,14-18H2,1-13H3/t19-,20-,21+,22+,23-,24+,25+,27-,28+,29+,30+,32-,33-,34-,35+,36+,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@@H:23]1[C@@:34]([CH3:8])([OH:44])[C@H:27]([OH:40])[C@@H:21]([CH3:4])[C:26](=[O:39])[C@H:19]([CH3:2])[CH2:15][C@@:32]([CH3:6])([OH:43])[C@H:29]([O:52][C@H:25]2[CH2:18][C@:37]([N:38]([CH3:11])[CH3:12])([OH:47])[CH2:16][C@@H:20]([CH3:3])[O:49]2)[C@:35]([CH3:9])([OH:45])[C@H:30]([O:53][C@H:24]2[CH2:17][C@@:33]([CH3:7])([O:48][CH3:13])[C@@H:28]([OH:41])[C@H:22]([CH3:5])[O:50]2)[C@:36]([CH3:10])([OH:46])[C:31](=[O:42])[O:51]1 |
|