| Properties | Image |
|---|
| MNX_ID | MNXM1381889 |
 |
| reference | chebi:199527 |
| formula | C49H60O17 |
| global charge | 0 |
| mol weight | 921.002 |
| InChIKey | PODCUTRKQPEUAQ-YVFZMJNESA-N |
| InChI | InChI=1S/C49H60O17/c1-21-31(50)9-13-38(59-21)63-35-11-15-40(61-23(35)3)65-48-25(5)58-37(18-33(48)52)26-7-8-27-42(44(26)54)46(56)29-17-28-30(47(57)43(29)45(27)55)19-49(6,20-34(28)53)66-41-16-12-36(24(4)62-41)64-39-14-10-32(51)22(2)60-39/h7-8,17,21-25,33,35-41,48,52,54,57H,9-16,18-20H2,1-6H3/t21-,22-,23-,24-,25+,33+,35-,36-,37+,38-,39-,40-,41-,48+,49+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4cc6c(c(O)c4C5=O)C[C@@](C)(O[C@H]4CC[C@H](O[C@H]5CCC(=O)[C@H](C)O5)[C@H](C)O4)CC6=O)O[C@@H]3C)O[C@H]2C)CCC1=O |
MNX internals
| InChI (mnx) | InChI=1/C49H60O17/c1-21-31(50)9-13-38(59-21)63-35-11-15-40(61-23(35)3)65-48-25(5)58-37(18-33(48)52)26-7-8-27-42(44(26)54)46(56)29-17-28-30(47(57)43(29)45(27)55)19-49(6,20-34(28)53)66-41-16-12-36(24(4)62-41)64-39-14-10-32(51)22(2)60-39/h7-8,17,21-25,33,35-41,48,52,54,57H,9-16,18-20H2,1-6H3/t21-,22-,23-,24-,25+,33+,35-,36-,37+,38-,39-,40-,41-,48+,49+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[c:2]1[c:3]2[c:5]([CH3:9])[c:10]([C@@H:16]3[CH2:21][C@H:26]([CH3:30])[C@H:29]([CH2:34][CH:36]4[CH2:39][C@@H:43]([CH3:48])[CH:47]([O:50][O:52]5[O:55][O:59]([OH:64])[O:63](=[O:66])[O:60][O:56]5)[CH2:44][CH2:40]4)[C@H:27]([CH3:31])[CH2:22]3)[cH:15][cH:12][c:6]2[c:11](=[CH2:17])[c:7]2[c:4]1[cH:8][c:14]1[c:19]([c:13]2[CH3:18])[CH2:23][C@@:28]([CH2:32][C@@H:35]2[CH2:37][C@H:41]([CH3:46])[C@H:45]([CH2:49][O@:51]3[O:53][O@:57]([OH:62])[O:61](=[O:65])[O:58][O:54]3)[CH2:42][CH2:38]2)([CH3:33])[CH2:25][C:20]1=[CH2:24] |
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