| Properties | Image |
|---|
| MNX_ID | MNXM1181078 |
 |
| reference | envipathM:...46bf91a466e6 |
| formula | C37H67NO15 |
| global charge | 0 |
| mol weight | 765.935 |
| InChIKey | UQLJMQSTEGYGSK-DCERKNPISA-N |
| InChI | InChI=1S/C37H67NO15/c1-13-24-36(9,46)28(41)21(5)29(42)37(47,17-39)16-34(7,45)31(53-33-26(40)23(38(10)11)14-18(2)49-33)19(3)27(20(4)32(44)51-24)52-25-15-35(8,48-12)30(43)22(6)50-25/h18-28,30-31,33,39-41,43,45-47H,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@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO15/c1-13-24-36(9,46)28(41)21(5)29(42)37(47,17-39)16-34(7,45)31(53-33-26(40)23(38(10)11)14-18(2)49-33)19(3)27(20(4)32(44)51-24)52-25-15-35(8,48-12)30(43)22(6)50-25/h18-28,30-31,33,39-41,43,45-47H,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:24]1[C@@:36]([CH3:9])([OH:46])[C@H:28]([OH:41])[C@@H:21]([CH3:5])[C:29](=[O:42])[C@@:37]([CH2:17][OH:39])([OH:47])[CH2:16][C@@:34]([CH3:7])([OH:45])[C@H:31]([O:53][C@H:33]2[C@H:26]([OH:40])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:18]([CH3:2])[O:49]2)[C@@H:19]([CH3:3])[C@H:27]([O:52][C@H:25]2[CH2:15][C@@:35]([CH3:8])([O:48][CH3:12])[C@@H:30]([OH:43])[C@H:22]([CH3:6])[O:50]2)[C@@H:20]([CH3:4])[C:32](=[O:44])[O:51]1 |
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