| Properties | Image |
|---|
| MNX_ID | MNXM744658 |
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| reference | biggM:atvacylgluc |
| formula | C39H43FN2O11 |
| global charge | 0 |
| mol weight | 734.774 |
| InChIKey | ZUTLXLYYUSGCQH-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H43FN2O11/c1-21(2)31-30(37(49)41-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(40)16-14-23)42(31)18-17-26(43)19-27(44)20-28(45)52-39-35(48)33(46)34(47)36(53-39)38(50)51/h3-16,21,26-27,33-36,39,43-44,46-48H,17-20H2,1-2H3,(H,41,49)(H,50,51) |
| SMILES | CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(O)CC(O)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C39H43FN2O11/c1-21(2)31-30(37(49)41-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(40)16-14-23)42(31)18-17-26(43)19-27(44)20-28(45)52-39-35(48)33(46)34(47)36(53-39)38(50)51/h3-16,21,26-27,33-36,39,43-44,46-48H,17-20H2,1-2H3,(H,41,49)(H,50,51)/t26?,27?,33?,34?,35?,36?,39? |
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| SMILES (mnx) | [CH3:1][CH:21]([CH3:2])[C:31]1=[C:30]([C:37](=[N:41][C:25]2=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]2)[OH:49])[C:29]([C:22]2=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]2)=[C:32]([C:23]2=[CH:14][CH:16]=[C:24]([F:40])[CH:15]=[CH:13]2)[N:42]1[CH2:18][CH2:17][CH:26]([CH2:19][CH:27]([CH2:20][C:28](=[O:45])[O:52][CH:39]1[CH:35]([OH:48])[CH:33]([OH:46])[CH:34]([OH:47])[CH:36]([C:38](=[O:50])[OH:51])[O:53]1)[OH:44])[OH:43] |
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