Glycoside
GD135200
Name:
methyl 2-(furan-3-yl)-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:
C27H36O11Smiles:
COC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)CC2C1(C)CCC1C(=O)OC(c3ccoc3)CC12CAglycone:
COC(=O)C1=CC(O)CC2C1(C)CCC1C(=O)OC(c3ccoc3)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD54674
Formula: C21H26O6
Smiles:
COC(=O)C1=CC(O)CC2C1(C)CCC1C(=O)OC(c3ccoc3)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
