Glycoside
GD144030
Name:
methyl 2-(furan-3-yl)-6-hydroxy-6a,10b-dimethyl-4-oxo-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C27H36O12Smiles:
COC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CAglycone:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 185.35 | 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 |
