| Properties | Image |
|---|
| MNX_ID | MNXM1132631 |
 |
| reference | metacycM:CPD-23905 |
| formula | C28H48N2O19 |
| global charge | 0 |
| mol weight | 716.687 |
| InChIKey | KJVYHCYRJKWSCG-SBQCOSQXSA-N |
| InChI | InChI=1S/C28H48N2O19/c1-7-15(35)13(29-9(3)33)18(38)26(43-7)49-24-16(36)8(2)44-28(21(24)41)47-22-12(6-32)46-27(20(40)19(22)39)48-23-14(30-10(4)34)25(42)45-11(5-31)17(23)37/h7-8,11-28,31-32,35-42H,5-6H2,1-4H3,(H,29,33)(H,30,34)/t7-,8+,11-,12-,13+,14-,15-,16+,17+,18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28+/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]4NC(C)=O)O[C@@H]3CO)[C@@H]2O)O[C@H](C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H48N2O19/c1-7-15(35)13(29-9(3)33)18(38)26(43-7)49-24-16(36)8(2)44-28(21(24)41)47-22-12(6-32)46-27(20(40)19(22)39)48-23-14(30-10(4)34)25(42)45-11(5-31)17(23)37/h7-8,11-28,31-32,35-42H,5-6H2,1-4H3,(H,29,33)(H,30,34)/t7-,8+,11-,12-,13+,14-,15-,16+,17+,18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:7]1[C@@H:15]([OH:35])[C@H:13]([N:29]=[C:9]([CH3:3])[OH:33])[C@@H:18]([OH:38])[C@@H:26]([O:49][C@@H:24]2[C@@H:16]([OH:36])[C@H:8]([CH3:2])[O:44][C@@H:28]([O:47][C@H:22]3[C@@H:12]([CH2:6][OH:32])[O:46][C@@H:27]([O:48][C@@H:23]4[C@@H:14]([N:30]=[C:10]([CH3:4])[OH:34])[C@@H:25]([OH:42])[O:45][C@H:11]([CH2:5][OH:31])[C@@H:17]4[OH:37])[C@H:20]([OH:40])[C@H:19]3[OH:39])[C@@H:21]2[OH:41])[O:43]1 |
|