Glycoside
GD123750
Name:
methyl 6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H32O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C=Cc1ccc(O)cc1)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C=Cc1ccc(O)cc1)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD49958
Formula: C20H22O7
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C=Cc1ccc(O)cc1)C2C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
