| Properties | Image |
|---|
| MNX_ID | MNXM1183673 |
 |
| reference | envipathM:...d7d279f82de1 |
| formula | C37H67NO16 |
| global charge | 0 |
| mol weight | 781.934 |
| InChIKey | GPBHDHMMACZRTD-FLSCKKQFSA-N |
| InChI | InChI=1S/C37H67NO16/c1-13-23-35(8,46)31(43)36(9,47)32(44)37(48,17-39)16-33(6,45)28(54-30-25(40)22(38(10)11)14-18(2)50-30)19(3)26(20(4)29(42)52-23)53-24-15-34(7,49-12)27(41)21(5)51-24/h18-28,30-31,39-41,43,45-48H,13-17H2,1-12H3/t18-,19+,20-,21+,22+,23-,24+,25-,26+,27+,28-,30+,31+,33-,34-,35-,36+,37-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@](O)(CO)C(=O)[C@@](C)(O)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO16/c1-13-23-35(8,46)31(43)36(9,47)32(44)37(48,17-39)16-33(6,45)28(54-30-25(40)22(38(10)11)14-18(2)50-30)19(3)26(20(4)29(42)52-23)53-24-15-34(7,49-12)27(41)21(5)51-24/h18-28,30-31,39-41,43,45-48H,13-17H2,1-12H3/t18-,19+,20-,21+,22+,23-,24+,25-,26+,27+,28-,30+,31+,33-,34-,35-,36+,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:23]1[C@@:35]([CH3:8])([OH:46])[C@H:31]([OH:43])[C@:36]([CH3:9])([OH:47])[C:32](=[O:44])[C@@:37]([CH2:17][OH:39])([OH:48])[CH2:16][C@@:33]([CH3:6])([OH:45])[C@H:28]([O:54][C@H:30]2[C@H:25]([OH:40])[C@@H:22]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:18]([CH3:2])[O:50]2)[C@@H:19]([CH3:3])[C@H:26]([O:53][C@H:24]2[CH2:15][C@@:34]([CH3:7])([O:49][CH3:12])[C@@H:27]([OH:41])[C@H:21]([CH3:5])[O:51]2)[C@@H:20]([CH3:4])[C:29](=[O:42])[O:52]1 |
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