| Properties | Image |
|---|
| MNX_ID | MNXM113741 |
 |
| reference | chebi:66276 |
| formula | C45H55NO21 |
| global charge | 0 |
| mol weight | 945.921 |
| InChIKey | GHLDKPNDMMVFDQ-OFWWAFBUSA-N |
| InChI | InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20+,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1 |
| SMILES | COC(=O)C[C@@H]1C(=O)CC[C@H](C)C(=O)O[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@@]45O[C@@]3(C)COC(=O)C3=C(N=CC=C3)[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(COC1=O)[C@@H]2OC(C)=O)[C@]5(C)O |
MNX internals
| InChI (mnx) | InChI=1/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20+,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:19]1[CH2:13][CH2:14][C:28](=[O:51])[C@@H:27]([CH2:16][C:29](=[O:52])[O:58][CH3:10])[C:41](=[O:56])[O:60][CH2:18][C@:44]23[C@H:36]([O:63][C:24]([CH3:6])=[O:49])[C@@H:32]([C@@H:30]4[C@@H:34]([O:62][C:23]([CH3:5])=[O:48])[C@:45]25[C@@:43]([CH3:9])([OH:57])[C@H:35]([C@H:33]([O:61][C:22]([CH3:4])=[O:47])[C@@H:37]3[O:64][C:25]([CH3:7])=[O:50])[O:66][C:39](=[O:54])[C@@H:21]([CH3:3])[C@@H:20]([CH3:2])[C:31]2=[C:26]([CH:12]=[CH:11][CH:15]=[N:46]2)[C:40](=[O:55])[O:59][CH2:17][C@:42]4([CH3:8])[O:67]5)[O:65][C:38]1=[O:53] |
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