Glycoside
GD156531
Name:
methyl 2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C32H44O16Smiles:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C12CAglycone:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 684.69 | Num_heavy_atoms: | 48 |
| TPSA: | 244.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD02098
Formula: C21H26O7
Smiles:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
