Details of MALONYL-GINSENOSIDE-RD
| IUPAC | 3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Canonical Smiles | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)COC(=O)CC(=O)O)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C |
| Inchi | OSXWNRAKZUNVDR-QHEGXUBCSA-N |
| PubChem ID | 14162967 |
| Smiles | CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)C(C)(C)C3CCC12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%29%3DCCCC%28C%29%28OC1OC%28CO%29C%28O%29C%28O%29C1O%29C1CCC2%28C%29C1C%28O%29CC1C3%28C%29CCC%28OC4OC%28CO%29C%28O%29C%28O%29C4OC4OC%28COC%28%3DO%29CC%28%3DO%29O%29C%28O%29C%28O%29C4O%29C%28C%29%28C%29C3CCC12C/file?format=sdf&get3d=True -- CC%28C%29%3DCCCC%28C%29%28OC1OC%28CO%29C%28O%29C%28O%29C1O%29C1CCC2%28C%29C1C%28O%29CC1C3%28C%29CCC%28OC4OC%28CO%29C%28O%29C%28O%29C4OC4OC%28COC%28%3DO%29CC%28%3DO%29O%29C%28O%29C%28O%29C4O%29C%28C%29%28C%29C3CCC12C could not be loaded.
| Class | Dammarane and Protostane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |