| Properties | Image |
|---|
| MNX_ID | MNXM8659 |
 |
| reference | metacycM:CPD-13949 |
| formula | C41H72NO17 |
| global charge | 1 |
| mol weight | 851.017 |
| InChIKey | DGXXZLIJQKOLQC-GZFACOMDSA-O |
| InChI | InChI=1S/C41H71NO17/c1-17-14-41(16-52-41)37(49)20(4)29(44)19(3)23(7)55-38(50)22(6)35(57-28-13-26(51-11)30(45)24(8)54-28)21(5)34(17)58-40-36(25(42(9)10)12-18(2)53-40)59-39-33(48)32(47)31(46)27(15-43)56-39/h17-36,39-40,43-48H,12-16H2,1-11H3/p+1/t17-,18+,19-,20+,21+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34-,35-,36+,39?,40-,41+/m0/s1 |
| SMILES | CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H]([NH+](C)C)[C@H]3OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H71NO17/c1-17-14-41(16-52-41)37(49)20(4)29(44)19(3)23(7)55-38(50)22(6)35(57-28-13-26(51-11)30(45)24(8)54-28)21(5)34(17)58-40-36(25(42(9)10)12-18(2)53-40)59-39-33(48)32(47)31(46)27(15-43)56-39/h17-36,39-40,43-48H,12-16H2,1-11H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34-,35-,36+,39?,40-,41+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[CH2:14][C@@:41]2([CH2:16][O:52]2)[C:37](=[O:49])[C@H:20]([CH3:4])[C@@H:29]([OH:44])[C@@H:19]([CH3:3])[C@@H:23]([CH3:7])[O:55][C:38](=[O:50])[C@H:22]([CH3:6])[C@@H:35]([O:57][C@H:28]2[CH2:13][C@H:26]([O:51][CH3:11])[C@@H:30]([OH:45])[C@H:24]([CH3:8])[O:54]2)[C@H:21]([CH3:5])[C@H:34]1[O:58][C@H:40]1[C@H:36]([O:59][CH:39]2[C@H:33]([OH:48])[C@@H:32]([OH:47])[C@H:31]([OH:46])[C@@H:27]([CH2:15][OH:43])[O:56]2)[C@@H:25]([N:42]([CH3:9])[CH3:10])[CH2:12][C@@H:18]([CH3:2])[O:53]1 |
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