| Properties | Image |
|---|
| MNX_ID | MNXM1176573 |
 |
| reference | envipathM:...b57f2091f816 |
| formula | C36H63NO15 |
| global charge | 0 |
| mol weight | 749.892 |
| InChIKey | CPVZPGFZLNDKEF-PDMCZYSCSA-N |
| InChI | InChI=1S/C36H63NO15/c1-12-23-35(9,45)32(43)36(46,16-38)27(40)17(2)14-33(7,44)29(52-31-25(39)22(37-10)13-18(3)48-31)19(4)26(20(5)30(42)50-23)51-24-15-34(8,47-11)28(41)21(6)49-24/h16-26,28-29,31-32,37,39,41,43-46H,12-15H2,1-11H3/t17-,18-,19+,20-,21+,22+,23-,24+,25-,26+,28+,29-,31+,32+,33-,34-,35-,36-/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](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@](O)(C=O)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H63NO15/c1-12-23-35(9,45)32(43)36(46,16-38)27(40)17(2)14-33(7,44)29(52-31-25(39)22(37-10)13-18(3)48-31)19(4)26(20(5)30(42)50-23)51-24-15-34(8,47-11)28(41)21(6)49-24/h16-26,28-29,31-32,37,39,41,43-46H,12-15H2,1-11H3/t17-,18-,19+,20-,21+,22+,23-,24+,25-,26+,28+,29-,31+,32+,33-,34-,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:23]1[C@@:35]([CH3:9])([OH:45])[C@H:32]([OH:43])[C@:36]([CH:16]=[O:38])([OH:46])[C:27](=[O:40])[C@H:17]([CH3:2])[CH2:14][C@@:33]([CH3:7])([OH:44])[C@H:29]([O:52][C@H:31]2[C@H:25]([OH:39])[C@@H:22]([NH:37][CH3:10])[CH2:13][C@@H:18]([CH3:3])[O:48]2)[C@@H:19]([CH3:4])[C@H:26]([O:51][C@H:24]2[CH2:15][C@@:34]([CH3:8])([O:47][CH3:11])[C@@H:28]([OH:41])[C@H:21]([CH3:6])[O:49]2)[C@@H:20]([CH3:5])[C:30](=[O:42])[O:50]1 |
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