Glycoside
GD131150
Name:
9-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-7-methoxy-3-methyl-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-5,10-dioneFormula:
C22H26O10Smiles:
COc1cc(OC2OC(CO)C(OC)C(O)C2O)c2c(c1)C(=O)C1=C(COC(C)C1)C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)C1=C(COC(C)C1)C2=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 140.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD53144
Formula: C15H14O5
Smiles:
COc1cc(O)c2c(c1)C(=O)C1=C(COC(C)C1)C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
