| Properties | Image |
|---|
| MNX_ID | MNXM1191028 |
 |
| reference | envipathM:...1da0efab7e38 |
| formula | C37H66NO16 |
| global charge | -1 |
| mol weight | 780.926 |
| InChIKey | XMGBELFHKGVHOD-AMZMRHAZSA-M |
| InChI | InChI=1S/C37H67NO16/c1-14-23(39)37(10,48)28(41)21(5)27(40)34(7,46)17-35(8,47)30(54-33-32(45)52-24(38(11)12)15-18(2)50-33)19(3)26(20(4)31(43)44)53-25-16-36(9,49-13)29(42)22(6)51-25/h18-26,28-30,33,39,41-42,46-48H,14-17H2,1-13H3,(H,43,44)/p-1/t18-,19+,20-,21+,22+,23-,24-,25+,26+,28-,29+,30-,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[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)OC1=O)[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/C37H67NO16/c1-14-23(39)37(10,48)28(41)21(5)27(40)34(7,46)17-35(8,47)30(54-33-32(45)52-24(38(11)12)15-18(2)50-33)19(3)26(20(4)31(43)44)53-25-16-36(9,49-13)29(42)22(6)51-25/h18-26,28-30,33,39,41-42,46-48H,14-17H2,1-13H3,(H,43,44)/t18-,19+,20-,21+,22+,23-,24-,25+,26+,28-,29+,30-,33+,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@H:23]([C@:37]([CH3:10])([C@@H:28]([C@@H:21]([CH3:5])[C:27]([C@:34]([CH3:7])([CH2:17][C@:35]([CH3:8])([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:25]1[CH2:16][C@@:36]([CH3:9])([O:49][CH3:13])[C@@H:29]([OH:42])[C@H:22]([CH3:6])[O:51]1)[O:54][C@H:33]1[C:32](=[O:45])[O:52][C@@H:24]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:18]([CH3:2])[O:50]1)[OH:47])[OH:46])=[O:40])[OH:41])[OH:48])[OH:39] |
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