Glycoside
GD126495
Name:
7-[(4-hydroxybenzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C23H26O12Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(O)cc3)=CCC12Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccc(O)cc3)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD51187
Formula: C17H16O7
Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccc(O)cc3)=CCC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
