| Properties | Image |
|---|
| MNX_ID | MNXM1174246 |
 |
| reference | envipathM:...6bb79e20e3c0 |
| formula | C36H65NO15 |
| global charge | 0 |
| mol weight | 751.908 |
| InChIKey | RYXGWWJCTWMDML-XDRUPSLFSA-N |
| InChI | InChI=1S/C36H65NO15/c1-12-23-34(8,44)27(40)19(3)26(39)18(2)13-32(6,43)31(52-25-16-36(46,37-10)14-22(17-38)49-25)35(9,45)29(20(4)30(42)50-23)51-24-15-33(7,47-11)28(41)21(5)48-24/h18-25,27-29,31,37-38,40-41,43-46H,12-17H2,1-11H3/t18-,19+,20-,21+,22+,23-,24+,25+,27-,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@@](C)(O)[C@@H](O[C@H]2C[C@@](O)(NC)C[C@@H](CO)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/C36H65NO15/c1-12-23-34(8,44)27(40)19(3)26(39)18(2)13-32(6,43)31(52-25-16-36(46,37-10)14-22(17-38)49-25)35(9,45)29(20(4)30(42)50-23)51-24-15-33(7,47-11)28(41)21(5)48-24/h18-25,27-29,31,37-38,40-41,43-46H,12-17H2,1-11H3/t18-,19+,20-,21+,22+,23-,24+,25+,27-,28+,29-,31+,32-,33-,34-,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:23]1[C@@:34]([CH3:8])([OH:44])[C@H:27]([OH:40])[C@@H:19]([CH3:3])[C:26](=[O:39])[C@H:18]([CH3:2])[CH2:13][C@@:32]([CH3:6])([OH:43])[C@H:31]([O:52][C@H:25]2[CH2:16][C@:36]([NH:37][CH3:10])([OH:46])[CH2:14][C@@H:22]([CH2:17][OH:38])[O:49]2)[C@:35]([CH3:9])([OH:45])[C@H:29]([O:51][C@H:24]2[CH2:15][C@@:33]([CH3:7])([O:47][CH3:11])[C@@H:28]([OH:41])[C@H:21]([CH3:5])[O:48]2)[C@@H:20]([CH3:4])[C:30](=[O:42])[O:50]1 |
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