| Properties | Image |
|---|
| MNX_ID | MNXM1195097 |
 |
| reference | envipathM:...0f6bd15dc7e0 |
| formula | C37H65NO16 |
| global charge | 0 |
| mol weight | 779.918 |
| InChIKey | ZLACTBJUUUEZKD-ZAFVOLDKSA-N |
| InChI | InChI=1S/C37H65NO16/c1-17-13-23(38(10)11)25(41)33(50-17)54-31-22(15-39)26(52-24-14-36(8,49-12)29(44)21(5)51-24)18(2)32(45)53-30(20(4)40)37(9,48)28(43)19(3)27(42)34(6,46)16-35(31,7)47/h15,17-26,28-31,33,40-41,43-44,46-48H,13-14,16H2,1-12H3/t17-,18-,19+,20?,21+,22+,23+,24+,25-,26-,28-,29+,30-,31-,33+,34+,35-,36-,37+/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C=O)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C(C)O)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO16/c1-17-13-23(38(10)11)25(41)33(50-17)54-31-22(15-39)26(52-24-14-36(8,49-12)29(44)21(5)51-24)18(2)32(45)53-30(20(4)40)37(9,48)28(43)19(3)27(42)34(6,46)16-35(31,7)47/h15,17-26,28-31,33,40-41,43-44,46-48H,13-14,16H2,1-12H3/t17-,18-,19+,20?,21+,22+,23+,24+,25-,26-,28-,29+,30-,31-,33+,34+,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:13][C@H:23]([N:38]([CH3:10])[CH3:11])[C@@H:25]([OH:41])[C@H:33]([O:54][C@@H:31]2[C@@H:22]([CH:15]=[O:39])[C@H:26]([O:52][C@H:24]3[CH2:14][C@@:36]([CH3:8])([O:49][CH3:12])[C@@H:29]([OH:44])[C@H:21]([CH3:5])[O:51]3)[C@@H:18]([CH3:2])[C:32](=[O:45])[O:53][C@H:30]([CH:20]([CH3:4])[OH:40])[C@@:37]([CH3:9])([OH:48])[C@H:28]([OH:43])[C@@H:19]([CH3:3])[C:27](=[O:42])[C@@:34]([CH3:6])([OH:46])[CH2:16][C@@:35]2([CH3:7])[OH:47])[O:50]1 |
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