| Properties | Image |
|---|
| MNX_ID | MNXM744414 |
 |
| reference | biggM:2hatvlacgluc |
| formula | C39H41FN2O11 |
| global charge | 0 |
| mol weight | 732.758 |
| InChIKey | UQYKEINTTVQWJT-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H41FN2O11/c1-20(2)31-30(37(48)41-26-10-6-7-11-27(26)43)29(21-8-4-3-5-9-21)32(22-12-14-23(40)15-13-22)42(31)17-16-24-18-25(19-28(44)51-24)52-39-35(47)33(45)34(46)36(53-39)38(49)50/h3-15,20,24-25,33-36,39,43,45-47H,16-19H2,1-2H3,(H,41,48)(H,49,50) |
| SMILES | CC(C)C1=C(C(=O)NC2=CC=CC=C2O)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC1CC(OC2OC(C(=O)O)C(O)C(O)C2O)CC(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C39H41FN2O11/c1-20(2)31-30(37(48)41-26-10-6-7-11-27(26)43)29(21-8-4-3-5-9-21)32(22-12-14-23(40)15-13-22)42(31)17-16-24-18-25(19-28(44)51-24)52-39-35(47)33(45)34(46)36(53-39)38(49)50/h3-15,20,24-25,33-36,39,43,45-47H,16-19H2,1-2H3,(H,41,48)(H,49,50)/t24?,25?,33?,34?,35?,36?,39? |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C:31]1=[C:30]([C:37](=[N:41][C:26]2=[CH:10][CH:6]=[CH:7][CH:11]=[C:27]2[OH:43])[OH:48])[C:29]([C:21]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)=[C:32]([C:22]2=[CH:13][CH:15]=[C:23]([F:40])[CH:14]=[CH:12]2)[N:42]1[CH2:17][CH2:16][CH:24]1[CH2:18][CH:25]([O:52][CH:39]2[CH:35]([OH:47])[CH:33]([OH:45])[CH:34]([OH:46])[CH:36]([C:38](=[O:49])[OH:50])[O:53]2)[CH2:19][C:28](=[O:44])[O:51]1 |
|