| Properties | Image |
|---|
| MNX_ID | MNXM11843 |
 |
| reference | chebi:63859 |
| formula | C47H51NO15 |
| global charge | 0 |
| mol weight | 869.917 |
| InChIKey | NDCWHEDPSFRTDA-FJMWQILYSA-N |
| InChI | InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1 |
| SMILES | CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1[C@@H](O)[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]1=[C:31]2[C@@H:35]([O:60][C:25]([CH3:2])=[O:49])[C:38](=[O:54])[C@@:45]3([CH3:6])[C@H:36]([C@H:40]([O:62][C:42]([C:29]4=[CH:20][CH:14]=[CH:9][CH:15]=[CH:21]4)=[O:56])[C@:47]([OH:58])([CH2:22][C@@H:30]1[O:61][C:43]([C@@H:33]([C@H:32]([C:27]1=[CH:16][CH:10]=[CH:7][CH:11]=[CH:17]1)[N:48]=[C:41]([C:28]1=[CH:18][CH:12]=[CH:8][CH:13]=[CH:19]1)[OH:55])[OH:51])=[O:57])[C:44]2([CH3:4])[CH3:5])[C@:46]1([O:63][C:26]([CH3:3])=[O:50])[CH2:23][O:59][C@@H:39]1[C@@H:34]([OH:52])[C@@H:37]3[OH:53] |
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