| Properties | Image |
|---|
| MNX_ID | MNXM101658 |
 |
| reference | chebi:69758 |
| formula | C48H51NO18 |
| global charge | 0 |
| mol weight | 929.925 |
| InChIKey | BAQHNCDGDYXTFN-UOHDKFNHSA-N |
| InChI | InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(64-42(55)30-16-11-9-12-17-30)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(62-28(5)52)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24-,25-,33+,35+,36-,37?,38-,39+,40-,45-,46-,47-,48-/m0/s1 |
| SMILES | CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=C(N=CC=C1)[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(=O)C1=CC=CC=C1)[C@]4(C)O |
MNX internals
| InChI (mnx) | InChI=1/C48H51NO18/c1-24-25(2)41(54)65-38-36(64-42(55)30-16-11-9-12-17-30)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(62-28(5)52)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24-,25-,33+,35+,36-,37?,38-,39+,40-,45-,46-,47-,48-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:24]1[C@H:25]([CH3:2])[C:41](=[O:54])[O:65][C@H:38]2[C@H:36]([O:64][C:42]([C:30]3=[CH:16][CH:11]=[CH:9][CH:12]=[CH:17]3)=[O:55])[C@H:40]([O:66][C:43]([C:31]3=[CH:18][CH:13]=[CH:10][CH:14]=[CH:19]3)=[O:56])[C@:47]3([CH2:23][O:59][C:26]([CH3:3])=[O:50])[C@H:39]([O:63][C:29]([CH3:6])=[O:53])[C@H:35]([O:61][C:27]([CH3:4])=[O:51])[C@@H:33]4[CH:37]([O:62][C:28]([CH3:5])=[O:52])[C@@:48]3([C@@:46]2([CH3:8])[OH:58])[O:67][C@@:45]4([CH3:7])[CH2:22][O:60][C:44](=[O:57])[C:32]2=[C:34]1[N:49]=[CH:21][CH:15]=[CH:20]2 |
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