| Properties | Image |
|---|
| MNX_ID | MNXM1305051 |
 |
| reference | envipathM:...d1dc3c627fa3 |
| formula | C37H66NO16 |
| global charge | -1 |
| mol weight | 780.926 |
| InChIKey | VWKZRJGHNDXMRM-NMSZFJBPSA-M |
| InChI | InChI=1S/C37H67NO16/c1-13-24(40)36(9,48)33(46)37(49,17-39)28(42)18(2)15-34(7,47)30(54-32-26(41)23(38(10)11)14-19(3)51-32)20(4)27(21(5)31(44)45)53-25-16-35(8,50-12)29(43)22(6)52-25/h17-27,29-30,32-33,40-41,43,46-49H,13-16H2,1-12H3,(H,44,45)/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@@](O)(C=O)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[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/c1-13-24(40)36(9,48)33(46)37(49,17-39)28(42)18(2)15-34(7,47)30(54-32-26(41)23(38(10)11)14-19(3)51-32)20(4)27(21(5)31(44)45)53-25-16-35(8,50-12)29(43)22(6)52-25/h17-27,29-30,32-33,40-41,43,46-49H,13-16H2,1-12H3,(H,44,45)/t18-,19-,20+,21-,22+,23+,24-,25+,26-,27+,29+,30-,32+,33+,34-,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:24]([C@:36]([CH3:9])([C@@H:33]([C@@:37]([CH:17]=[O:39])([C:28]([C@H:18]([CH3:2])[CH2:15][C@:34]([CH3:7])([C@@H:30]([C@@H:20]([CH3:4])[C@@H:27]([C@@H:21]([CH3:5])[C:31](=[O:44])[OH:45])[O:53][C@H:25]1[CH2:16][C@@:35]([CH3:8])([O:50][CH3:12])[C@@H:29]([OH:43])[C@H:22]([CH3:6])[O:52]1)[O:54][C@H:32]1[C@H:26]([OH:41])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:19]([CH3:3])[O:51]1)[OH:47])=[O:42])[OH:49])[OH:46])[OH:48])[OH:40] |
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