| Properties | Image |
|---|
| MNX_ID | MNXM1177684 |
 |
| reference | envipathM:...53ffb9e6efc0 |
| formula | C36H63NO15 |
| global charge | 0 |
| mol weight | 749.892 |
| InChIKey | GNBADZXOAHAWPE-ARRIZGIDSA-N |
| InChI | InChI=1S/C36H63NO15/c1-17-14-22(37-10)25(39)32(48-17)52-30-18(2)26(51-24-15-35(8,47-11)29(42)21(5)49-24)19(3)31(43)50-23(12-13-38)36(9,46)28(41)20(4)27(40)33(6,44)16-34(30,7)45/h17-26,28,30,32,37-39,41,44-46H,12-16H2,1-11H3/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26+,28-,30-,32+,33+,34-,35-,36-/m1/s1 |
| SMILES | CN[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)C(=O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CCO)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)C[C@@]2(C)O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H63NO15/c1-17-14-22(37-10)25(39)32(48-17)52-30-18(2)26(51-24-15-35(8,47-11)29(42)21(5)49-24)19(3)31(43)50-23(12-13-38)36(9,46)28(41)20(4)27(40)33(6,44)16-34(30,7)45/h17-26,28,30,32,37-39,41,44-46H,12-16H2,1-11H3/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26+,28-,30-,32+,33+,34-,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:14][C@H:22]([NH:37][CH3:10])[C@@H:25]([OH:39])[C@H:32]([O:52][C@@H:30]2[C@@H:18]([CH3:2])[C@H:26]([O:51][C@H:24]3[CH2:15][C@@:35]([CH3:8])([O:47][CH3:11])[C:29](=[O:42])[C@H:21]([CH3:5])[O:49]3)[C@@H:19]([CH3:3])[C:31](=[O:43])[O:50][C@H:23]([CH2:12][CH2:13][OH:38])[C@@:36]([CH3:9])([OH:46])[C@H:28]([OH:41])[C@@H:20]([CH3:4])[C:27](=[O:40])[C@@:33]([CH3:6])([OH:44])[CH2:16][C@@:34]2([CH3:7])[OH:45])[O:48]1 |
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