| Properties | Image |
|---|
| MNX_ID | MNXM1169856 |
 |
| reference | envipathM:...935cd0e7aa7a |
| formula | C37H67NO14 |
| global charge | 0 |
| mol weight | 749.936 |
| InChIKey | NSHOMXGWIJQXQG-HNUBZJOYSA-N |
| InChI | InChI=1S/C37H67NO14/c1-14-24-37(10,46)29(41)21(5)28(40)34(7,44)17-35(8,45)31(52-33-26(39)23(38(11)12)15-18(2)48-33)19(3)27(20(4)32(43)50-24)51-25-16-36(9,47-13)30(42)22(6)49-25/h18-27,29-31,33,39,41-42,44-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO14/c1-14-24-37(10,46)29(41)21(5)28(40)34(7,44)17-35(8,45)31(52-33-26(39)23(38(11)12)15-18(2)48-33)19(3)27(20(4)32(43)50-24)51-25-16-36(9,47-13)30(42)22(6)49-25/h18-27,29-31,33,39,41-42,44-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@@H:24]1[C@@:37]([CH3:10])([OH:46])[C@H:29]([OH:41])[C@@H:21]([CH3:5])[C:28](=[O:40])[C@@:34]([CH3:7])([OH:44])[CH2:17][C@@:35]([CH3:8])([OH:45])[C@H:31]([O:52][C@H:33]2[C@H:26]([OH:39])[C@@H:23]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:18]([CH3:2])[O:48]2)[C@@H:19]([CH3:3])[C@H:27]([O:51][C@H:25]2[CH2:16][C@@:36]([CH3:9])([O:47][CH3:13])[C@@H:30]([OH:42])[C@H:22]([CH3:6])[O:49]2)[C@@H:20]([CH3:4])[C:32](=[O:43])[O:50]1 |
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