| Properties | Image |
|---|
| MNX_ID | MNXM1193730 |
 |
| reference | envipathM:...2d3c2a075a87 |
| formula | C37H65NO15 |
| global charge | 0 |
| mol weight | 763.919 |
| InChIKey | DTDZNNBSFCHTQB-SAWJKHNISA-N |
| InChI | InChI=1S/C37H65NO15/c1-13-24-35(8,45)28(41)21(4)27(40)19(2)14-33(6,44)32(53-26-17-37(47,38(10)11)15-20(3)49-26)36(9,46)30(23(18-39)31(43)51-24)52-25-16-34(7,48-12)29(42)22(5)50-25/h19-26,29-30,32,39,42,44-47H,13-18H2,1-12H3/t19-,20-,21+,22+,23-,24-,25+,26+,29+,30-,32+,33-,34-,35-,36-,37-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](CO)[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(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-13-24-35(8,45)28(41)21(4)27(40)19(2)14-33(6,44)32(53-26-17-37(47,38(10)11)15-20(3)49-26)36(9,46)30(23(18-39)31(43)51-24)52-25-16-34(7,48-12)29(42)22(5)50-25/h19-26,29-30,32,39,42,44-47H,13-18H2,1-12H3/t19-,20-,21+,22+,23-,24-,25+,26+,29+,30-,32+,33-,34-,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:24]1[C@@:35]([CH3:8])([OH:45])[C:28](=[O:41])[C@@H:21]([CH3:4])[C:27](=[O:40])[C@H:19]([CH3:2])[CH2:14][C@@:33]([CH3:6])([OH:44])[C@H:32]([O:53][C@H:26]2[CH2:17][C@:37]([N:38]([CH3:10])[CH3:11])([OH:47])[CH2:15][C@@H:20]([CH3:3])[O:49]2)[C@:36]([CH3:9])([OH:46])[C@H:30]([O:52][C@H:25]2[CH2:16][C@@:34]([CH3:7])([O:48][CH3:12])[C@@H:29]([OH:42])[C@H:22]([CH3:5])[O:50]2)[C@@H:23]([CH2:18][OH:39])[C:31](=[O:43])[O:51]1 |
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