| Properties | Image |
MNX_ID | MNXM103112 |
 |
reference | chebi:71208 |
formula | C28H48N2O21 |
global charge | 0 |
mol weight | 748.685 |
InChIKey | SVIRFPAAZYGYOL-AVDRWFNSSA-N |
InChI | InChI=1S/C28H48N2O21/c1-7(34)29-13-17(38)23(10(4-32)46-25(13)44)50-28-22(43)20(41)16(37)12(49-28)6-45-26-14(30-8(2)35)18(39)24(11(5-33)48-26)51-27-21(42)19(40)15(36)9(3-31)47-27/h9-28,31-33,36-44H,3-6H2,1-2H3,(H,29,34)(H,30,35)/t9-,10-,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]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C28H48N2O21/c1-7(34)29-13-17(38)23(10(4-32)46-25(13)44)50-28-22(43)20(41)16(37)12(49-28)6-45-26-14(30-8(2)35)18(39)24(11(5-33)48-26)51-27-21(42)19(40)15(36)9(3-31)47-27/h9-28,31-33,36-44H,3-6H2,1-2H3,(H,29,34)(H,30,35)/t9-,10-,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:7](=[N:29][C@@H:13]1[C@@H:17]([OH:38])[C@H:23]([O:50][C@H:28]2[C@H:22]([OH:43])[C@@H:20]([OH:41])[C@@H:16]([OH:37])[C@@H:12]([CH2:6][O:45][C@H:26]3[C@H:14]([N:30]=[C:8]([CH3:2])[OH:35])[C@@H:18]([OH:39])[C@H:24]([O:51][C@H:27]4[C@H:21]([OH:42])[C@@H:19]([OH:40])[C@@H:15]([OH:36])[C@@H:9]([CH2:3][OH:31])[O:47]4)[C@@H:11]([CH2:5][OH:33])[O:48]3)[O:49]2)[C@@H:10]([CH2:4][OH:32])[O:46][C@H:25]1[OH:44])[OH:34] |
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