Glycoside
GD146716
Name:
methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,7H,8H,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C26H34O12Smiles:
COC(=O)C1CC(O)CC2C1=C(OC1OC(CO)C(O)C(O)C1O)CC1C(=O)OC(c3ccoc3)CC12CAglycone:
COC(=O)C1CC(O)CC2C1=C(O)CC1C(=O)OC(c3ccoc3)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 185.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD58809
Formula: C20H24O7
Smiles:
COC(=O)C1CC(O)CC2C1=C(O)CC1C(=O)OC(c3ccoc3)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
