Glycoside
GD127529
Name:
methyl 2-(furan-3-yl)-6a,10b-dimethyl-4,9-dioxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C27H32O12Smiles:
COC(=O)C1=CC(=O)CC2C3(C)CC(c4ccoc4)OC(=O)C3=CC(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
COC(=O)C1=CC(=O)CC2C3(C)CC(c4ccoc4)OC(=O)C3=CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 182.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD51644
Formula: C21H22O7
Smiles:
COC(=O)C1=CC(=O)CC2C3(C)CC(c4ccoc4)OC(=O)C3=CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 103.04 | NumAromaticRings: | 1 |
