| Properties | Image |
|---|
| MNX_ID | MNXM10716 |
 |
| reference | keggC:C20139 |
| formula | C37H51ClN2O14 |
| global charge | 0 |
| mol weight | 783.268 |
| InChIKey | ULDWTSQHEYEWRZ-CBEYZXOKSA-N |
| InChI | InChI=1S/C37H51ClN2O14/c1-17(2)34(46)53-26-14-27(42)40(33-31(45)30(44)29(43)24(16-41)51-33)21-12-20(13-22(49-6)28(21)38)11-18(3)9-8-10-25(50-7)37(48)15-23(52-35(47)39-37)19(4)32-36(26,5)54-32/h8-10,12-13,17,19,23-26,29-33,41,43-45,48H,11,14-16H2,1-7H3,(H,39,47)/b10-8+,18-9+/t19-,23+,24-,25-,26+,29-,30+,31-,32+,33-,36+,37+/m1/s1 |
| SMILES | COC1=CC2=CC(=C1Cl)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C37H51ClN2O14/c1-17(2)34(46)53-26-14-27(42)40(33-31(45)30(44)29(43)24(16-41)51-33)21-12-20(13-22(49-6)28(21)38)11-18(3)9-8-10-25(50-7)37(48)15-23(52-35(47)39-37)19(4)32-36(26,5)54-32/h8-10,12-13,17,19,23-26,29-33,41,43-45,48H,11,14-16H2,1-7H3,(H,39,47)/b10-8+,18-9+/t19-,23+,24-,25-,26+,29-,30+,31-,32+,33-,36+,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[C:34](=[O:46])[O:53][C@H:26]1[CH2:14][C:27](=[O:42])[N:40]([C@H:33]2[C@H:31]([OH:45])[C@@H:30]([OH:44])[C@H:29]([OH:43])[C@@H:24]([CH2:16][OH:41])[O:51]2)[C:21]2=[C:28]([Cl:38])[C:22]([O:49][CH3:6])=[CH:13][C:20](=[CH:12]2)[CH2:11]/[C:18]([CH3:3])=[CH:9]/[CH:8]=[CH:10]/[C@@H:25]([O:50][CH3:7])[C@@:37]2([OH:48])[CH2:15][C@@H:23]([C@@H:19]([CH3:4])[C@H:32]3[C@@:36]1([CH3:5])[O:54]3)[O:52][C:35]([OH:47])=[N:39]2 |
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