| Properties | Image |
|---|
| MNX_ID | MNXM1191697 |
 |
| reference | envipathM:...66b0e90d08ee |
| formula | C37H65NO14 |
| global charge | 0 |
| mol weight | 747.92 |
| InChIKey | VWZSPEBXCNDOJZ-ZEEYZGJESA-N |
| InChI | InChI=1S/C37H65NO14/c1-13-25-36(9,45)30(41)21(4)28(40)19(2)14-34(7,44)32(52-27-17-37(46,38(10)11)15-20(3)48-27)22(5)29(24(18-39)33(43)50-25)51-26-16-35(8,47-12)31(42)23(6)49-26/h18-27,29-32,41-42,44-46H,13-17H2,1-12H3/t19-,20-,21+,22+,23+,24-,25-,26+,27+,29+,30-,31+,32-,34-,35-,36-,37-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C=O)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[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/C37H65NO14/c1-13-25-36(9,45)30(41)21(4)28(40)19(2)14-34(7,44)32(52-27-17-37(46,38(10)11)15-20(3)48-27)22(5)29(24(18-39)33(43)50-25)51-26-16-35(8,47-12)31(42)23(6)49-26/h18-27,29-32,41-42,44-46H,13-17H2,1-12H3/t19-,20-,21+,22+,23+,24-,25-,26+,27+,29+,30-,31+,32-,34-,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:25]1[C@@:36]([CH3:9])([OH:45])[C@H:30]([OH:41])[C@@H:21]([CH3:4])[C:28](=[O:40])[C@H:19]([CH3:2])[CH2:14][C@@:34]([CH3:7])([OH:44])[C@H:32]([O:52][C@H:27]2[CH2:17][C@:37]([N:38]([CH3:10])[CH3:11])([OH:46])[CH2:15][C@@H:20]([CH3:3])[O:48]2)[C@@H:22]([CH3:5])[C@H:29]([O:51][C@H:26]2[CH2:16][C@@:35]([CH3:8])([O:47][CH3:12])[C@@H:31]([OH:42])[C@H:23]([CH3:6])[O:49]2)[C@@H:24]([CH:18]=[O:39])[C:33](=[O:43])[O:50]1 |
|