Details of MADHUCOSIDE B
| IUPAC | [(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(CO3)O)O)O)OC4C(C(OC(C4O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C1(CC(C(C(C1C(CC9(C8(CC7)C)C)O)(C)CO)OC1C(C(C(C(O1)CO)O)O)OC1C(C(CO1)(CO)O)O)O)C)(C)C)O)O)C)O)CO)O)O)O |
| Inchi | GOCQBMDZEDNKSZ-RAJYQNHOSA-N |
| PubChem ID | 70697914 |
| Smiles | CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9OC9OCC(O)(CO)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6)OCC(O)C4O)C3O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O |
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |