Glycoside
GD142858
Name:
methyl 5,6-bis(benzoyloxy)-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C31H34O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.6 | Num_heavy_atoms: | 45 |
| TPSA: | 207.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD57479
Formula: C25H24O9
Smiles:
COC(=O)C1=COC(O)C2C(CO)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C12| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.46 | Num_heavy_atoms: | 34 |
| TPSA: | 128.59 | NumAromaticRings: | 2 |
