| Properties | Image |
|---|
| MNX_ID | MNXM1173473 |
 |
| reference | envipathM:...6bc895642619 |
| formula | C37H63NO15 |
| global charge | 0 |
| mol weight | 761.903 |
| InChIKey | ARSCUKGKKXZGCE-HJOZDMTASA-N |
| InChI | InChI=1S/C37H63NO15/c1-13-24-36(8,46)28(42)19(3)26(40)22(17-39)15-34(6,45)33(53-32-27(41)23(38(10)11)14-18(2)49-32)37(9,47)30(20(4)31(44)51-24)52-25-16-35(7,48-12)29(43)21(5)50-25/h18-25,29-30,32-33,39,43,45-47H,13-17H2,1-12H3/t18-,19+,20-,21+,22+,23+,24-,25+,29+,30-,32+,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@@](C)(O)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)C2=O)[C@](C)(O)C[C@@H](CO)C(=O)[C@H](C)C(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H63NO15/c1-13-24-36(8,46)28(42)19(3)26(40)22(17-39)15-34(6,45)33(53-32-27(41)23(38(10)11)14-18(2)49-32)37(9,47)30(20(4)31(44)51-24)52-25-16-35(7,48-12)29(43)21(5)50-25/h18-25,29-30,32-33,39,43,45-47H,13-17H2,1-12H3/t18-,19+,20-,21+,22+,23+,24-,25+,29+,30-,32+,33+,34-,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:24]1[C@@:36]([CH3:8])([OH:46])[C:28](=[O:42])[C@@H:19]([CH3:3])[C:26](=[O:40])[C@H:22]([CH2:17][OH:39])[CH2:15][C@@:34]([CH3:6])([OH:45])[C@H:33]([O:53][C@H:32]2[C:27](=[O:41])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:18]([CH3:2])[O:49]2)[C@:37]([CH3:9])([OH:47])[C@H:30]([O:52][C@H:25]2[CH2:16][C@@:35]([CH3:7])([O:48][CH3:12])[C@@H:29]([OH:43])[C@H:21]([CH3:5])[O:50]2)[C@@H:20]([CH3:4])[C:31](=[O:44])[O:51]1 |
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