| Properties | Image |
|---|
| MNX_ID | MNXM107529 |
 |
| reference | chebi:67930 |
| formula | C47H50O26 |
| global charge | 0 |
| mol weight | 1030.891 |
| InChIKey | NLVNWKWBXDAKIC-GHNQEIAISA-N |
| InChI | InChI=1S/C47H50O26/c1-19(48)59-17-34-39(63-23(5)52)42(65-25(7)54)44(67-27(9)56)46(71-34)69-31-15-32(62-22(4)51)36-33(16-31)70-38(29-11-13-30(14-12-29)61-21(3)50)41(37(36)58)73-47-45(68-28(10)57)43(66-26(8)55)40(64-24(6)53)35(72-47)18-60-20(2)49/h11-16,34-35,39-40,42-47H,17-18H2,1-10H3/t34-,35-,39-,40-,42+,43+,44-,45-,46-,47+/m1/s1 |
| SMILES | CC(=O)OC[C@H]1O[C@@H](OC2=CC(OC(C)=O)=C3C(=O)C(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)=C(C4=CC=C(OC(C)=O)C=C4)OC3=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C47H50O26/c1-19(48)59-17-34-39(63-23(5)52)42(65-25(7)54)44(67-27(9)56)46(71-34)69-31-15-32(62-22(4)51)36-33(16-31)70-38(29-11-13-30(14-12-29)61-21(3)50)41(37(36)58)73-47-45(68-28(10)57)43(66-26(8)55)40(64-24(6)53)35(72-47)18-60-20(2)49/h11-16,34-35,39-40,42-47H,17-18H2,1-10H3/t34-,35-,39-,40-,42+,43+,44-,45-,46-,47+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19](=[O:48])[O:59][CH2:17][C@@H:34]1[C@@H:39]([O:63][C:23]([CH3:5])=[O:52])[C@H:42]([O:65][C:25]([CH3:7])=[O:54])[C@@H:44]([O:67][C:27]([CH3:9])=[O:56])[C@H:46]([O:69][C:31]2=[CH:15][C:32]([O:62][C:22]([CH3:4])=[O:51])=[C:36]3[C:33](=[CH:16]2)[O:70][C:38]([C:29]2=[CH:12][CH:14]=[C:30]([O:61][C:21]([CH3:3])=[O:50])[CH:13]=[CH:11]2)=[C:41]([O:73][C@H:47]2[C@H:45]([O:68][C:28]([CH3:10])=[O:57])[C@@H:43]([O:66][C:26]([CH3:8])=[O:55])[C@H:40]([O:64][C:24]([CH3:6])=[O:53])[C@@H:35]([CH2:18][O:60][C:20]([CH3:2])=[O:49])[O:72]2)[C:37]3=[O:58])[O:71]1 |
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