| Properties | Image |
|---|
| MNX_ID | MNXM1182400 |
 |
| reference | envipathM:...60c54e6adbda |
| formula | C35H63NO15 |
| global charge | 0 |
| mol weight | 737.881 |
| InChIKey | QXOGMAREQDWWTG-HVWVMAHXSA-N |
| InChI | InChI=1S/C35H63NO15/c1-15-12-33(7,44)29(51-32-25(40)22(36)11-21(14-37)48-32)17(3)26(49-23-13-34(8,46-10)28(42)20(6)47-23)18(4)31(43)50-30(19(5)38)35(9,45)27(41)16(2)24(15)39/h15-23,25-30,32,37-38,40-42,44-45H,11-14,36H2,1-10H3/t15-,16+,17+,18-,19?,20+,21+,22+,23+,25-,26+,27-,28+,29-,30-,32+,33-,34-,35+/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](CO)C[C@H](N)[C@H]3O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C(C)O)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H63NO15/c1-15-12-33(7,44)29(51-32-25(40)22(36)11-21(14-37)48-32)17(3)26(49-23-13-34(8,46-10)28(42)20(6)47-23)18(4)31(43)50-30(19(5)38)35(9,45)27(41)16(2)24(15)39/h15-23,25-30,32,37-38,40-42,44-45H,11-14,36H2,1-10H3/t15-,16+,17+,18-,19?,20+,21+,22+,23+,25-,26+,27-,28+,29-,30-,32+,33-,34-,35+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[CH2:12][C@@:33]([CH3:7])([OH:44])[C@H:29]([O:51][C@H:32]2[C@H:25]([OH:40])[C@@H:22]([NH2:36])[CH2:11][C@@H:21]([CH2:14][OH:37])[O:48]2)[C@@H:17]([CH3:3])[C@H:26]([O:49][C@H:23]2[CH2:13][C@@:34]([CH3:8])([O:46][CH3:10])[C@@H:28]([OH:42])[C@H:20]([CH3:6])[O:47]2)[C@@H:18]([CH3:4])[C:31](=[O:43])[O:50][C@H:30]([CH:19]([CH3:5])[OH:38])[C@@:35]([CH3:9])([OH:45])[C@H:27]([OH:41])[C@@H:16]([CH3:2])[C:24]1=[O:39] |
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