| Properties | Image |
|---|
| MNX_ID | MNXM1185933 |
 |
| reference | envipathM:...3be7eb8940de |
| formula | C37H67NO16 |
| global charge | 0 |
| mol weight | 781.934 |
| InChIKey | SKTZOYDTPVQOEC-VTAFTHHXSA-N |
| InChI | InChI=1S/C37H67NO16/c1-17-14-34(6,46)29(53-32-26(42)22(38(10)11)13-18(2)50-32)20(4)30(52-24-15-35(7,49-12)28(44)23(16-39)51-24)37(9,48)33(45)54-31(21(5)40)36(8,47)27(43)19(3)25(17)41/h17-24,26-32,39-40,42-44,46-48H,13-16H2,1-12H3/t17-,18-,19+,20-,21?,22+,23+,24+,26-,27-,28+,29-,30+,31-,32+,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@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C(C)O)OC(=O)[C@@]2(C)O)O[C@@H](CO)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO16/c1-17-14-34(6,46)29(53-32-26(42)22(38(10)11)13-18(2)50-32)20(4)30(52-24-15-35(7,49-12)28(44)23(16-39)51-24)37(9,48)33(45)54-31(21(5)40)36(8,47)27(43)19(3)25(17)41/h17-24,26-32,39-40,42-44,46-48H,13-16H2,1-12H3/t17-,18-,19+,20-,21?,22+,23+,24+,26-,27-,28+,29-,30+,31-,32+,34-,35-,36+,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:14][C@@:34]([CH3:6])([OH:46])[C@H:29]([O:53][C@H:32]2[C@H:26]([OH:42])[C@@H:22]([N:38]([CH3:10])[CH3:11])[CH2:13][C@@H:18]([CH3:2])[O:50]2)[C@@H:20]([CH3:4])[C@H:30]([O:52][C@H:24]2[CH2:15][C@@:35]([CH3:7])([O:49][CH3:12])[C@@H:28]([OH:44])[C@H:23]([CH2:16][OH:39])[O:51]2)[C@:37]([CH3:9])([OH:48])[C:33](=[O:45])[O:54][C@H:31]([CH:21]([CH3:5])[OH:40])[C@@:36]([CH3:8])([OH:47])[C@H:27]([OH:43])[C@@H:19]([CH3:3])[C:25]1=[O:41] |
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