| Properties | Image |
|---|
| MNX_ID | MNXM106723 |
 |
| reference | chebi:234131 |
| formula | C51H72O23 |
| global charge | 0 |
| mol weight | 1053.114 |
| InChIKey | VBBQWKLBPKLXGJ-IIHQHQNCSA-N |
| InChI | InChI=1S/C51H72O23/c1-18-29(70-34-14-30(43(57)21(4)66-34)71-33-13-28(53)42(56)20(3)65-33)12-26-10-25-11-27(48(64-9)41(55)19(2)52)49(47(61)39(25)46(60)38(26)40(18)54)74-36-16-31(44(58)23(6)68-36)72-35-15-32(45(59)22(5)67-35)73-37-17-51(8,63)50(62)24(7)69-37/h10,12,20-24,27-28,30-37,42-45,48-50,53-54,56-60,62-63H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44-,45+,48+,49+,50-,51+/m1/s1 |
| SMILES | CO[C@H](C(=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/C51H72O23/c1-18-29(70-34-14-30(43(57)21(4)66-34)71-33-13-28(53)42(56)20(3)65-33)12-26-10-25-11-27(48(64-9)41(55)19(2)52)49(47(61)39(25)46(60)38(26)40(18)54)74-36-16-31(44(58)23(6)68-36)72-35-15-32(45(59)22(5)67-35)73-37-17-51(8,63)50(62)24(7)69-37/h10,12,20-24,27-28,30-37,42-45,48-50,53-54,56-60,62-63H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44-,45+,48+,49+,50-,51+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[C:29]([O:70][C@H:34]2[CH2:14][C@@H:30]([O:71][C@H:33]3[CH2:13][C@@H:28]([OH:53])[C@H:42]([OH:56])[C@@H:20]([CH3:3])[O:65]3)[C@H:43]([OH:57])[C@@H:21]([CH3:4])[O:66]2)[CH:12]=[C:26]2[CH:10]=[C:25]3[CH2:11][C@@H:27]([C@@H:48]([C:41]([C:19]([CH3:2])=[O:52])=[O:55])[O:64][CH3:9])[C@H:49]([O:74][C@H:36]4[CH2:16][C@@H:31]([O:72][C@H:35]5[CH2:15][C@@H:32]([O:73][C@H:37]6[CH2:17][C@:51]([CH3:8])([OH:63])[C@H:50]([OH:62])[C@@H:24]([CH3:7])[O:69]6)[C@@H:45]([OH:59])[C@@H:22]([CH3:5])[O:67]5)[C@H:44]([OH:58])[C@@H:23]([CH3:6])[O:68]4)[C:47](=[O:61])[C:39]3=[C:46]([OH:60])[C:38]2=[C:40]1[OH:54] |
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