| Properties | Image |
|---|
| MNX_ID | MNXM1138526 |
 |
| reference | envipathM:...c5a5b40fa316 |
| formula | C37H67NO17 |
| global charge | 0 |
| mol weight | 797.933 |
| InChIKey | SOCHMGMDPMPCNM-YFGOJRGCSA-N |
| InChI | InChI=1S/C37H67NO17/c1-17-13-21(38(10)11)24(41)30(51-17)55-27-18(2)25(53-23-14-35(7,50-12)26(42)22(15-39)52-23)19(3)29(43)54-28(20(4)40)36(8,48)32(45)37(9,49)31(44)34(6,47)16-33(27,5)46/h17-28,30,32,39-42,45-49H,13-16H2,1-12H3/t17-,18+,19-,20?,21+,22+,23+,24-,25+,26+,27-,28-,30+,32+,33-,34+,35-,36-,37-/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](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@](C)(O)C(=O)[C@@](C)(O)[C@@H](O)[C@](C)(O)[C@@H](C(C)O)OC(=O)[C@@H]2C)O[C@@H](CO)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO17/c1-17-13-21(38(10)11)24(41)30(51-17)55-27-18(2)25(53-23-14-35(7,50-12)26(42)22(15-39)52-23)19(3)29(43)54-28(20(4)40)36(8,48)32(45)37(9,49)31(44)34(6,47)16-33(27,5)46/h17-28,30,32,39-42,45-49H,13-16H2,1-12H3/t17-,18+,19-,20?,21+,22+,23+,24-,25+,26+,27-,28-,30+,32+,33-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:13][C@H:21]([N:38]([CH3:10])[CH3:11])[C@@H:24]([OH:41])[C@H:30]([O:55][C@@H:27]2[C@@H:18]([CH3:2])[C@H:25]([O:53][C@H:23]3[CH2:14][C@@:35]([CH3:7])([O:50][CH3:12])[C@@H:26]([OH:42])[C@H:22]([CH2:15][OH:39])[O:52]3)[C@@H:19]([CH3:3])[C:29](=[O:43])[O:54][C@H:28]([CH:20]([CH3:4])[OH:40])[C@@:36]([CH3:8])([OH:48])[C@H:32]([OH:45])[C@:37]([CH3:9])([OH:49])[C:31](=[O:44])[C@@:34]([CH3:6])([OH:47])[CH2:16][C@@:33]2([CH3:5])[OH:46])[O:51]1 |
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