| Properties | Image |
|---|
| MNX_ID | MNXM106097 |
 |
| reference | chebi:69795 |
| formula | C46H58O26 |
| global charge | 0 |
| mol weight | 1026.944 |
| InChIKey | HDNHDPPQIOLQPB-GGSSKTFQSA-N |
| InChI | InChI=1S/C46H58O26/c1-18-29(69-33(55)9-5-20-3-7-24(49)26(51)11-20)12-21-22(14-67-44(34(18)21)72-46-42(63)39(60)37(58)30(13-47)70-46)43(64)66-15-27(52)35(56)36(57)28(53)16-68-45-41(62)40(61)38(59)31(71-45)17-65-32(54)8-4-19-2-6-23(48)25(50)10-19/h2-11,14,18,21,27-31,34-42,44-53,56-63H,12-13,15-17H2,1H3/b8-4+,9-5+/t18-,21-,27-,28-,29+,30-,31-,34-,35-,36-,37-,38-,39+,40+,41-,42-,44+,45-,46+/m1/s1 |
| SMILES | C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]3O[C@H](COC(=O)/C=C/C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2C[C@@H]1OC(=O)/C=C/C1=CC(O)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C46H58O26/c1-18-29(69-33(55)9-5-20-3-7-24(49)26(51)11-20)12-21-22(14-67-44(34(18)21)72-46-42(63)39(60)37(58)30(13-47)70-46)43(64)66-15-27(52)35(56)36(57)28(53)16-68-45-41(62)40(61)38(59)31(71-45)17-65-32(54)8-4-19-2-6-23(48)25(50)10-19/h2-11,14,18,21,27-31,34-42,44-53,56-63H,12-13,15-17H2,1H3/b8-4+,9-5+/t18-,21-,27-,28-,29+,30-,31-,34-,35-,36-,37-,38-,39+,40+,41-,42-,44+,45-,46+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[C@@H:29]([O:69][C:33](/[CH:9]=[CH:5]/[C:20]2=[CH:11][C:26]([OH:51])=[C:24]([OH:49])[CH:7]=[CH:3]2)=[O:55])[CH2:12][C@@H:21]2[C:22]([C:43](=[O:64])[O:66][CH2:15][C@H:27]([C@H:35]([C@@H:36]([C@@H:28]([CH2:16][O:68][C@H:45]3[C@H:41]([OH:62])[C@@H:40]([OH:61])[C@H:38]([OH:59])[C@@H:31]([CH2:17][O:65][C:32](/[CH:8]=[CH:4]/[C:19]4=[CH:10][C:25]([OH:50])=[C:23]([OH:48])[CH:6]=[CH:2]4)=[O:54])[O:71]3)[OH:53])[OH:57])[OH:56])[OH:52])=[CH:14][O:67][C@@H:44]([O:72][C@H:46]3[C@H:42]([OH:63])[C@@H:39]([OH:60])[C@H:37]([OH:58])[C@@H:30]([CH2:13][OH:47])[O:70]3)[C@H:34]12 |
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