Glycoside
GD121182
Name:
methyl 5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,4a,6-trimethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1-carboxylateFormula:
C26H42O8Smiles:
C=CC(C)(O)CCC1C(C)=CC(OC2OCC(O)C(O)C2O)C2C(C)(C(=O)OC)CCCC12CAglycone:
C=CC(C)(O)CCC1C(C)=CC(O)C2C(C)(C(=O)OC)CCCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.61 | Num_heavy_atoms: | 34 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48753
Formula: C21H34O4
Smiles:
C=CC(C)(O)CCC1C(C)=CC(O)C2C(C)(C(=O)OC)CCCC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
