| Properties | Image |
|---|
| MNX_ID | MNXM1184452 |
 |
| reference | envipathM:...96f1a72f0d70 |
| formula | C37H65NO15 |
| global charge | 0 |
| mol weight | 763.919 |
| InChIKey | PQOSRGAIWQDICB-DBTDLCOJSA-N |
| InChI | InChI=1S/C37H65NO15/c1-13-24-37(9,47)30(43)22(16-39)29(42)34(6,45)17-35(7,46)31(53-33-26(40)23(38(10)11)14-18(2)49-33)19(3)27(20(4)32(44)51-24)52-25-15-36(8,48-12)28(41)21(5)50-25/h18-27,30-31,33,39-40,43,45-47H,13-17H2,1-12H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,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(=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](CO)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-13-24-37(9,47)30(43)22(16-39)29(42)34(6,45)17-35(7,46)31(53-33-26(40)23(38(10)11)14-18(2)49-33)19(3)27(20(4)32(44)51-24)52-25-15-36(8,48-12)28(41)21(5)50-25/h18-27,30-31,33,39-40,43,45-47H,13-17H2,1-12H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,30-,31-,33+,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:24]1[C@@:37]([CH3:9])([OH:47])[C@H:30]([OH:43])[C@@H:22]([CH2:16][OH:39])[C:29](=[O:42])[C@@:34]([CH3:6])([OH:45])[CH2:17][C@@:35]([CH3:7])([OH:46])[C@H:31]([O:53][C@H:33]2[C@H:26]([OH:40])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:18]([CH3:2])[O:49]2)[C@@H:19]([CH3:3])[C@H:27]([O:52][C@H:25]2[CH2:15][C@@:36]([CH3:8])([O:48][CH3:12])[C:28](=[O:41])[C@H:21]([CH3:5])[O:50]2)[C@@H:20]([CH3:4])[C:32](=[O:44])[O:51]1 |
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