| Properties | Image |
|---|
| MNX_ID | MNXM31948 |
 |
| reference | chebi:32109 |
| formula | C41H76N2O15 |
| global charge | 0 |
| mol weight | 837.058 |
| InChIKey | RXZBMPWDPOLZGW-HEWSMUCTSA-N |
| InChI | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/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@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:15][C@@H:29]1[C@@:41]([CH3:10])([OH:49])[C@H:34]([OH:45])[C@@H:24]([CH3:4])/[C:31](=[N:42]\[O:53][CH2:21][O:52][CH2:17][CH2:16][O:50][CH3:13])[C@H:22]([CH3:2])[CH2:19][C@@:39]([CH3:8])([OH:48])[C@H:36]([O:58][C@H:38]2[C@H:32]([OH:44])[C@@H:28]([N:43]([CH3:11])[CH3:12])[CH2:18][C@@H:23]([CH3:3])[O:54]2)[C@@H:25]([CH3:5])[C@H:33]([O:57][C@H:30]2[CH2:20][C@@:40]([CH3:9])([O:51][CH3:14])[C@@H:35]([OH:46])[C@H:27]([CH3:7])[O:55]2)[C@@H:26]([CH3:6])[C:37](=[O:47])[O:56]1 |
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