Glycoside
GD137867
Name:
methyl 7-methyl-6-[(5-phenylpenta-2,4-dienoyl)oxy]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C28H34O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C=CC=Cc1ccccc1)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C=CC=Cc1ccccc1)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD55680
Formula: C22H24O6
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C=CC=Cc1ccccc1)C2C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
