| Properties | Image |
|---|
| MNX_ID | MNXM1178958 |
 |
| reference | envipathM:...8a40e1f6b00d |
| formula | C37H65NO16 |
| global charge | 0 |
| mol weight | 779.918 |
| InChIKey | VCRGZSXKRUHEBW-QIEAOTSRSA-N |
| InChI | InChI=1S/C37H65NO16/c1-12-24-37(8,48)29(43)19(3)28(42)34(5,46)17-35(6,47)31(54-33-26(41)23(38(9)10)13-21(15-39)51-33)18(2)27(22(16-40)32(45)52-24)53-25-14-36(7,49-11)30(44)20(4)50-25/h16,18-27,29-31,33,39,41,43-44,46-48H,12-15,17H2,1-11H3/t18-,19-,20-,21-,22+,23-,24+,25-,26+,27-,29+,30-,31+,33-,34-,35+,36+,37+/m0/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C=O)[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](CO)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/C37H65NO16/c1-12-24-37(8,48)29(43)19(3)28(42)34(5,46)17-35(6,47)31(54-33-26(41)23(38(9)10)13-21(15-39)51-33)18(2)27(22(16-40)32(45)52-24)53-25-14-36(7,49-11)30(44)20(4)50-25/h16,18-27,29-31,33,39,41,43-44,46-48H,12-15,17H2,1-11H3/t18-,19-,20-,21-,22+,23-,24+,25-,26+,27-,29+,30-,31+,33-,34-,35+,36+,37+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:24]1[C@@:37]([CH3:8])([OH:48])[C@H:29]([OH:43])[C@@H:19]([CH3:3])[C:28](=[O:42])[C@@:34]([CH3:5])([OH:46])[CH2:17][C@@:35]([CH3:6])([OH:47])[C@H:31]([O:54][C@H:33]2[C@H:26]([OH:41])[C@@H:23]([N:38]([CH3:9])[CH3:10])[CH2:13][C@@H:21]([CH2:15][OH:39])[O:51]2)[C@@H:18]([CH3:2])[C@H:27]([O:53][C@H:25]2[CH2:14][C@@:36]([CH3:7])([O:49][CH3:11])[C@@H:30]([OH:44])[C@H:20]([CH3:4])[O:50]2)[C@@H:22]([CH:16]=[O:40])[C:32](=[O:45])[O:52]1 |
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