| Properties | Image |
|---|
| MNX_ID | MNXM1132531 |
 |
| reference | metacycM:CPD-23791 |
| formula | C34H58N2O24 |
| global charge | 0 |
| mol weight | 878.828 |
| InChIKey | NHXRBSWGPLDSHV-TXWJQNBXSA-N |
| InChI | InChI=1S/C34H58N2O24/c1-8-17(42)23(48)27(58-31-15(35-10(3)40)22(47)19(44)12(5-37)55-31)32(52-8)59-28-24(49)18(43)9(2)53-33(28)60-29-25(50)20(45)13(6-38)56-34(29)57-26-16(36-11(4)41)30(51)54-14(7-39)21(26)46/h8-9,12-34,37-39,42-51H,5-7H2,1-4H3,(H,35,40)(H,36,41)/t8-,9-,12+,13+,14+,15-,16+,17-,18-,19+,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31-,32-,33-,34+/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4[C@@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]5NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]4O)O[C@@H](C)[C@H](O)[C@H]3O)O[C@@H](C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C34H58N2O24/c1-8-17(42)23(48)27(58-31-15(35-10(3)40)22(47)19(44)12(5-37)55-31)32(52-8)59-28-24(49)18(43)9(2)53-33(28)60-29-25(50)20(45)13(6-38)56-34(29)57-26-16(36-11(4)41)30(51)54-14(7-39)21(26)46/h8-9,12-34,37-39,42-51H,5-7H2,1-4H3,(H,35,40)(H,36,41)/t8-,9-,12+,13+,14+,15-,16+,17-,18-,19+,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31-,32-,33-,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:17]([OH:42])[C@@H:23]([OH:48])[C@@H:27]([O:58][C@H:31]2[C@@H:15]([N:35]=[C:10]([CH3:3])[OH:40])[C@@H:22]([OH:47])[C@H:19]([OH:44])[C@@H:12]([CH2:5][OH:37])[O:55]2)[C@H:32]([O:59][C@@H:28]2[C@H:24]([OH:49])[C@@H:18]([OH:43])[C@H:9]([CH3:2])[O:53][C@H:33]2[O:60][C@@H:29]2[C@@H:25]([OH:50])[C@@H:20]([OH:45])[C@@H:13]([CH2:6][OH:38])[O:56][C@@H:34]2[O:57][C@@H:26]2[C@@H:16]([N:36]=[C:11]([CH3:4])[OH:41])[C@H:30]([OH:51])[O:54][C@H:14]([CH2:7][OH:39])[C@H:21]2[OH:46])[O:52]1 |
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