| Properties | Image |
|---|
| MNX_ID | MNXM1232194 |
 |
| reference | envipathM:...d354cb3fcd5b |
| formula | C37H68NO16 |
| global charge | -1 |
| mol weight | 782.942 |
| InChIKey | ZFDJZEHRLIKZQC-PSACVRHQSA-M |
| InChI | InChI=1S/C37H69NO16/c1-14-23(39)34(8,46)27(40)21(5)28(41)35(9,47)32(45)36(10,48)30(54-25-17-37(49,38(11)12)15-18(2)51-25)19(3)26(20(4)31(43)44)53-24-16-33(7,50-13)29(42)22(6)52-24/h18-27,29-30,32,39-40,42,45-49H,14-17H2,1-13H3,(H,43,44)/p-1/t18-,19+,20-,21-,22+,23-,24+,25+,26+,27-,29+,30-,32?,33-,34-,35-,36+,37-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@](C)(O)[C@H](O[C@H]1C[C@@](O)(N(C)C)C[C@@H](C)O1)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H69NO16/c1-14-23(39)34(8,46)27(40)21(5)28(41)35(9,47)32(45)36(10,48)30(54-25-17-37(49,38(11)12)15-18(2)51-25)19(3)26(20(4)31(43)44)53-24-16-33(7,50-13)29(42)22(6)52-24/h18-27,29-30,32,39-40,42,45-49H,14-17H2,1-13H3,(H,43,44)/t18-,19+,20-,21-,22+,23-,24+,25+,26+,27-,29+,30-,32?,33-,34-,35-,36+,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@H:23]([C@:34]([CH3:8])([C@@H:27]([C@@H:21]([CH3:5])[C:28]([C@:35]([CH3:9])([CH:32]([C@:36]([CH3:10])([C@@H:30]([C@@H:19]([CH3:3])[C@@H:26]([C@@H:20]([CH3:4])[C:31](=[O:43])[OH:44])[O:53][C@H:24]1[CH2:16][C@@:33]([CH3:7])([O:50][CH3:13])[C@@H:29]([OH:42])[C@H:22]([CH3:6])[O:52]1)[O:54][C@H:25]1[CH2:17][C@:37]([N:38]([CH3:11])[CH3:12])([OH:49])[CH2:15][C@@H:18]([CH3:2])[O:51]1)[OH:48])[OH:45])[OH:47])=[O:41])[OH:40])[OH:46])[OH:39] |
|