| Properties | Image |
|---|
| MNX_ID | MNXM120397 |
 |
| reference | chebi:53498 |
| formula | C40H54O27 |
| global charge | 0 |
| mol weight | 966.845 |
| InChIKey | NNLVGZFZQQXQNW-ADJNRHBOSA-N |
| InChI | InChI=1S/C40H54O27/c1-15(41)52-12-26-29(55-18(4)44)32(56-19(5)45)36(60-23(9)49)39(64-26)67-31-28(14-54-17(3)43)65-40(37(61-24(10)50)34(31)58-21(7)47)66-30-27(13-53-16(2)42)63-38(62-25(11)51)35(59-22(8)48)33(30)57-20(6)46/h26-40H,12-14H2,1-11H3/t26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+/m1/s1 |
| SMILES | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]3COC(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C40H54O27/c1-15(41)52-12-26-29(55-18(4)44)32(56-19(5)45)36(60-23(9)49)39(64-26)67-31-28(14-54-17(3)43)65-40(37(61-24(10)50)34(31)58-21(7)47)66-30-27(13-53-16(2)42)63-38(62-25(11)51)35(59-22(8)48)33(30)57-20(6)46/h26-40H,12-14H2,1-11H3/t26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15](=[O:41])[O:52][CH2:12][C@@H:26]1[C@@H:29]([O:55][C:18]([CH3:4])=[O:44])[C@H:32]([O:56][C:19]([CH3:5])=[O:45])[C@@H:36]([O:60][C:23]([CH3:9])=[O:49])[C@H:39]([O:67][C@@H:31]2[C@@H:28]([CH2:14][O:54][C:17]([CH3:3])=[O:43])[O:65][C@@H:40]([O:66][C@@H:30]3[C@@H:27]([CH2:13][O:53][C:16]([CH3:2])=[O:42])[O:63][C@@H:38]([O:62][C:25]([CH3:11])=[O:51])[C@H:35]([O:59][C:22]([CH3:8])=[O:48])[C@H:33]3[O:57][C:20]([CH3:6])=[O:46])[C@H:37]([O:61][C:24]([CH3:10])=[O:50])[C@H:34]2[O:58][C:21]([CH3:7])=[O:47])[O:64]1 |
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