Glycoside
GD119948
Name:
methyl 3-methoxy-6b,8a,11,12b,14a-pentamethyl-5,10-dioxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicene-4-carboxylateFormula:
C36H48O11Smiles:
COC(=O)c1c(OC)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C(=O)C=C1C2(C)CCC2(C)C3CC(C)C(=O)CC3(C)CCC12CAglycone:
COC(=O)c1c(OC)c(O)cc2c1C(=O)C=C1C2(C)CCC2(C)C3CC(C)C(=O)CC3(C)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 656.77 | Num_heavy_atoms: | 47 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD48137
Formula: C30H38O6
Smiles:
COC(=O)c1c(OC)c(O)cc2c1C(=O)C=C1C2(C)CCC2(C)C3CC(C)C(=O)CC3(C)CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 494.63 | Num_heavy_atoms: | 36 |
| TPSA: | 89.9 | NumAromaticRings: | 1 |
