| Properties | Image |
|---|
| MNX_ID | MNXM1132628 |
 |
| reference | metacycM:CPD-23900 |
| formula | C33H56N2O24 |
| global charge | 0 |
| mol weight | 864.801 |
| InChIKey | ATTPRJBJESXWIU-ZZOPSGRMSA-N |
| InChI | InChI=1S/C33H56N2O24/c1-8-17(42)15(34-9(2)40)20(45)30(51-8)56-25-13(6-38)54-32(23(25)48)57-26-14(7-39)55-33(58-27-16(35-10(3)41)29(50)52-12(5-37)19(27)44)24(49)28(26)59-31-22(47)21(46)18(43)11(4-36)53-31/h8,11-33,36-39,42-50H,4-7H2,1-3H3,(H,34,40)(H,35,41)/t8-,11-,12-,13-,14-,15+,16-,17-,18+,19+,20-,21+,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32+,33+/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]4NC(C)=O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H56N2O24/c1-8-17(42)15(34-9(2)40)20(45)30(51-8)56-25-13(6-38)54-32(23(25)48)57-26-14(7-39)55-33(58-27-16(35-10(3)41)29(50)52-12(5-37)19(27)44)24(49)28(26)59-31-22(47)21(46)18(43)11(4-36)53-31/h8,11-33,36-39,42-50H,4-7H2,1-3H3,(H,34,40)(H,35,41)/t8-,11-,12-,13-,14-,15+,16-,17-,18+,19+,20-,21+,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32+,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]1[C@@H:17]([OH:42])[C@H:15]([N:34]=[C:9]([CH3:2])[OH:40])[C@@H:20]([OH:45])[C@H:30]([O:56][C@@H:25]2[C@@H:13]([CH2:6][OH:38])[O:54][C@@H:32]([O:57][C@H:26]3[C@@H:14]([CH2:7][OH:39])[O:55][C@@H:33]([O:58][C@@H:27]4[C@@H:16]([N:35]=[C:10]([CH3:3])[OH:41])[C@@H:29]([OH:50])[O:52][C@H:12]([CH2:5][OH:37])[C@@H:19]4[OH:44])[C@H:24]([OH:49])[C@H:28]3[O:59][C@@H:31]3[C@H:22]([OH:47])[C@@H:21]([OH:46])[C@@H:18]([OH:43])[C@@H:11]([CH2:4][OH:36])[O:53]3)[C@@H:23]2[OH:48])[O:51]1 |
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