| Properties | Image |
|---|
| MNX_ID | MNXM1132763 |
 |
| reference | metacycM:CPD-24138 |
| formula | C28H48N2O20 |
| global charge | 0 |
| mol weight | 732.686 |
| InChIKey | FABCCDZRYMJMQT-SFYQFAKCSA-N |
| InChI | InChI=1S/C28H48N2O20/c1-7-15(36)19(40)21(42)27(44-7)50-24-20(41)16(37)10(4-31)47-28(24)49-23-14(30-9(3)35)26(46-12(6-33)18(23)39)48-22-13(29-8(2)34)25(43)45-11(5-32)17(22)38/h7,10-28,31-33,36-43H,4-6H2,1-3H3,(H,29,34)(H,30,35)/t7-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H](O)[C@@H](CO)O[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H48N2O20/c1-7-15(36)19(40)21(42)27(44-7)50-24-20(41)16(37)10(4-31)47-28(24)49-23-14(30-9(3)35)26(46-12(6-33)18(23)39)48-22-13(29-8(2)34)25(43)45-11(5-32)17(22)38/h7,10-28,31-33,36-43H,4-6H2,1-3H3,(H,29,34)(H,30,35)/t7-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]1[C@@H:15]([OH:36])[C@@H:19]([OH:40])[C@H:21]([OH:42])[C@H:27]([O:50][C@@H:24]2[C@@H:20]([OH:41])[C@@H:16]([OH:37])[C@@H:10]([CH2:4][OH:31])[O:47][C@H:28]2[O:49][C@@H:23]2[C@@H:14]([N:30]=[C:9]([CH3:3])[OH:35])[C@@H:26]([O:48][C@@H:22]3[C@@H:13]([N:29]=[C:8]([CH3:2])[OH:34])[C@@H:25]([OH:43])[O:45][C@H:11]([CH2:5][OH:32])[C@H:17]3[OH:38])[O:46][C@H:12]([CH2:6][OH:33])[C@@H:18]2[OH:39])[O:44]1 |
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