| Properties | Image |
|---|
| MNX_ID | MNXM738838 |
 |
| reference | chebi:29624 |
| formula | C44H80N2O15 |
| global charge | 0 |
| mol weight | 877.123 |
| InChIKey | LRWRQTMTYVZKQW-WWDNQWNISA-N |
| InChI | InChI=1S/C44H80N2O15/c1-16-30-44(11,54)37(50)23(4)33(47)21(2)19-43(10,61-31-18-29(46(14)15)34(48)26(7)56-31)39(60-41-35(49)28(45(12)13)17-22(3)55-41)24(5)36(25(6)40(52)58-30)59-32-20-42(9,53)38(51)27(8)57-32/h21-32,34-39,41,48-51,53-54H,16-20H2,1-15H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[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@H]2C[C@@H](N(C)C)[C@@H](O)[C@H](C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C44H80N2O15/c1-16-30-44(11,54)37(50)23(4)33(47)21(2)19-43(10,61-31-18-29(46(14)15)34(48)26(7)56-31)39(60-41-35(49)28(45(12)13)17-22(3)55-41)24(5)36(25(6)40(52)58-30)59-32-20-42(9,53)38(51)27(8)57-32/h21-32,34-39,41,48-51,53-54H,16-20H2,1-15H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:16][C@@H:30]1[C@@:44]([CH3:11])([OH:54])[C@H:37]([OH:50])[C@@H:23]([CH3:4])[C:33](=[O:47])[C@H:21]([CH3:2])[CH2:19][C@@:43]([CH3:10])([O:61][C@H:31]2[CH2:18][C@@H:29]([N:46]([CH3:14])[CH3:15])[C@@H:34]([OH:48])[C@H:26]([CH3:7])[O:56]2)[C@H:39]([O:60][C@H:41]2[C@H:35]([OH:49])[C@@H:28]([N:45]([CH3:12])[CH3:13])[CH2:17][C@@H:22]([CH3:3])[O:55]2)[C@@H:24]([CH3:5])[C@H:36]([O:59][C@H:32]2[CH2:20][C@@:42]([CH3:9])([OH:53])[C@@H:38]([OH:51])[C@H:27]([CH3:8])[O:57]2)[C@@H:25]([CH3:6])[C:40](=[O:52])[O:58]1 |
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