| Properties | Image |
|---|
| MNX_ID | MNXM62952 |
 |
| reference | chebi:62098 |
| formula | C38H64N4O28 |
| global charge | 0 |
| mol weight | 1024.93 |
| InChIKey | UQEBOUGFBLKBSF-MFKWYPGSSA-N |
| InChI | InChI=1S/C38H64N4O28/c1-9(47)40-18-23(53)30(14(6-45)63-33(18)42-17(49)3-11(39)34(60)61)68-35-19(41-10(2)48)24(54)31(15(7-46)66-35)69-38-29(59)32(70-37-28(58)26(56)21(51)13(5-44)65-37)22(52)16(67-38)8-62-36-27(57)25(55)20(50)12(4-43)64-36/h11-16,18-33,35-38,43-46,50-59H,3-8,39H2,1-2H3,(H,40,47)(H,41,48)(H,42,49)(H,60,61)/t11-,12+,13+,14+,15+,16+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32-,33+,35-,36-,37+,38-/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C38H64N4O28/c1-9(47)40-18-23(53)30(14(6-45)63-33(18)42-17(49)3-11(39)34(60)61)68-35-19(41-10(2)48)24(54)31(15(7-46)66-35)69-38-29(59)32(70-37-28(58)26(56)21(51)13(5-44)65-37)22(52)16(67-38)8-62-36-27(57)25(55)20(50)12(4-43)64-36/h11-16,18-33,35-38,43-46,50-59H,3-8,39H2,1-2H3,(H,40,47)(H,41,48)(H,42,49)(H,60,61)/t11-,12+,13+,14+,15+,16+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32-,33+,35-,36-,37+,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9](=[N:40][C@@H:18]1[C@@H:23]([OH:53])[C@H:30]([O:68][C@H:35]2[C@H:19]([N:41]=[C:10]([CH3:2])[OH:48])[C@@H:24]([OH:54])[C@H:31]([O:69][C@H:38]3[C@@H:29]([OH:59])[C@@H:32]([O:70][C@@H:37]4[C@@H:28]([OH:58])[C@@H:26]([OH:56])[C@H:21]([OH:51])[C@@H:13]([CH2:5][OH:44])[O:65]4)[C@H:22]([OH:52])[C@@H:16]([CH2:8][O:62][C@@H:36]4[C@@H:27]([OH:57])[C@@H:25]([OH:55])[C@H:20]([OH:50])[C@@H:12]([CH2:4][OH:43])[O:64]4)[O:67]3)[C@@H:15]([CH2:7][OH:46])[O:66]2)[C@@H:14]([CH2:6][OH:45])[O:63][C@H:33]1[N:42]=[C:17]([CH2:3][C@@H:11]([C:34](=[O:60])[OH:61])[NH2:39])[OH:49])[OH:47] |
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