| Properties | Image |
|---|
| MNX_ID | MNXM36700 |
 |
| reference | chebi:64185 |
| formula | C40H54N4O29 |
| global charge | 0 |
| mol weight | 1054.871 |
| InChIKey | KEGDTBFOBDFABM-LDOGFWHWSA-N |
| InChI | InChI=1S/C40H54N4O29/c1-9(45)41-17-23(64-14(6)50)27(30(34(56)57)67-37(17)62)69-39-19(43-11(3)47)25(66-16(8)52)29(32(72-39)36(60)61)71-40-20(44-12(4)48)24(65-15(7)51)28(31(73-40)35(58)59)70-38-18(42-10(2)46)22(63-13(5)49)21(53)26(68-38)33(54)55/h17-32,37-40,53,62H,1-8H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,37+,38-,39+,40+/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O[C@H]3O[C@H](C(=O)O)[C@H](O[C@H]4O[C@H](C(=O)O)[C@H](O)[C@H](OC(C)=O)[C@H]4NC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)[C@@H](C(=O)O)O[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C40H54N4O29/c1-9(45)41-17-23(64-14(6)50)27(30(34(56)57)67-37(17)62)69-39-19(43-11(3)47)25(66-16(8)52)29(32(72-39)36(60)61)71-40-20(44-12(4)48)24(65-15(7)51)28(31(73-40)35(58)59)70-38-18(42-10(2)46)22(63-13(5)49)21(53)26(68-38)33(54)55/h17-32,37-40,53,62H,1-8H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,37+,38-,39+,40+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9](=[N:41][C@@H:17]1[C@@H:23]([O:64][C:14]([CH3:6])=[O:50])[C@@H:27]([O:69][C@@H:39]2[C@H:19]([N:43]=[C:11]([CH3:3])[OH:47])[C@@H:25]([O:66][C:16]([CH3:8])=[O:52])[C@@H:29]([O:71][C@@H:40]3[C@H:20]([N:44]=[C:12]([CH3:4])[OH:48])[C@@H:24]([O:65][C:15]([CH3:7])=[O:51])[C@@H:28]([O:70][C@@H:38]4[C@H:18]([N:42]=[C:10]([CH3:2])[OH:46])[C@@H:22]([O:63][C:13]([CH3:5])=[O:49])[C@@H:21]([OH:53])[C@@H:26]([C:33](=[O:54])[OH:55])[O:68]4)[C@@H:31]([C:35](=[O:58])[OH:59])[O:73]3)[C@@H:32]([C:36](=[O:60])[OH:61])[O:72]2)[C@@H:30]([C:34](=[O:56])[OH:57])[O:67][C@@H:37]1[OH:62])[OH:45] |
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