| Properties | Image |
|---|
| MNX_ID | MNXM12270 |
 |
| reference | chebi:81906 |
| formula | C52H74O24 |
| global charge | 0 |
| mol weight | 1083.14 |
| InChIKey | GXBYLUZTDNFHPE-HBTOKZPTSA-N |
| InChI | InChI=1S/C52H74O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,20-24,27-28,30-37,41-45,49-51,54-61,64-65H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1 |
| SMILES | CO[C@H](C(=O)[C@@H](O)C(C)=O)[C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C52H74O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,20-24,27-28,30-37,41-45,49-51,54-61,64-65H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[C:29]([O:72][C@H:34]2[CH2:14][C@@H:30]([O:73][C@H:33]3[CH2:13][C@@H:28]([OH:54])[C@H:42]([OH:57])[C@@H:20]([CH3:3])[O:67]3)[C@H:43]([OH:58])[C@@H:21]([CH3:4])[O:68]2)[CH:12]=[C:26]2[CH:10]=[C:25]3[CH2:11][C@@H:27]([C@@H:49]([C:48]([C@H:41]([C:19]([CH3:2])=[O:53])[OH:56])=[O:63])[O:66][CH3:9])[C@H:50]([O:76][C@H:36]4[CH2:16][C@@H:31]([O:74][C@H:35]5[CH2:15][C@@H:32]([O:75][C@H:37]6[CH2:17][C@:52]([CH3:8])([OH:65])[C@H:51]([OH:64])[C@@H:24]([CH3:7])[O:71]6)[C@@H:45]([OH:60])[C@@H:22]([CH3:5])[O:69]5)[C@H:44]([OH:59])[C@@H:23]([CH3:6])[O:70]4)[C:47](=[O:62])[C:39]3=[C:46]([OH:61])[C:38]2=[C:40]1[OH:55] |
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