| Properties | Image |
|---|
| MNX_ID | MNXM1132573 |
 |
| reference | metacycM:CPD-23839 |
| formula | C28H48N2O20 |
| global charge | 0 |
| mol weight | 732.686 |
| InChIKey | DRPJGXKSFRATAB-HMJSXTHKSA-N |
| InChI | InChI=1S/C28H48N2O20/c1-7-21(17(39)19(41)27(44-7)50-24-14(30-9(3)35)25(43)45-11(5-32)15(24)37)47-26-13(29-8(2)34)16(38)23(12(6-33)46-26)49-28-20(42)18(40)22(48-28)10(36)4-31/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](C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O[C@H]4O[C@@H]([C@H](O)CO)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H48N2O20/c1-7-21(17(39)19(41)27(44-7)50-24-14(30-9(3)35)25(43)45-11(5-32)15(24)37)47-26-13(29-8(2)34)16(38)23(12(6-33)46-26)49-28-20(42)18(40)22(48-28)10(36)4-31/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:21]([O:47][C@H:26]2[C@H:13]([N:29]=[C:8]([CH3:2])[OH:34])[C@@H:16]([OH:38])[C@@H:23]([O:49][C@@H:28]3[C@H:20]([OH:42])[C@@H:18]([OH:40])[C@H:22]([C@@H:10]([CH2:4][OH:31])[OH:36])[O:48]3)[C@@H:12]([CH2:6][OH:33])[O:46]2)[C@@H:17]([OH:39])[C@@H:19]([OH:41])[C@H:27]([O:50][C@@H:24]2[C@@H:14]([N:30]=[C:9]([CH3:3])[OH:35])[C@H:25]([OH:43])[O:45][C@H:11]([CH2:5][OH:32])[C@H:15]2[OH:37])[O:44]1 |
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