Details of GYPENOSIDE XIII
| IUPAC | (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| Canonical Smiles | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C |
| Inchi | YNBYFOIDLBTOMW-IPTBNLQOSA-N |
| PubChem ID | 11331683 |
| Smiles | CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%29%3DCCCC%28C%29%28OC1OC%28COC2OCC%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O%29C1CCC2%28C%29C1C%28O%29CC1C3%28C%29CCC%28O%29C%28C%29%28C%29C3CCC12C/file?format=sdf&get3d=True -- CC%28C%29%3DCCCC%28C%29%28OC1OC%28COC2OCC%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O%29C1CCC2%28C%29C1C%28O%29CC1C3%28C%29CCC%28O%29C%28C%29%28C%29C3CCC12C could not be loaded.
| Class | Dammarane and Protostane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |