Glycoside
GD136098
Name:
3,4,5-trihydroxy-6-[(2-{2-oxo-9-oxatricyclo[9.4.0.0³,â¸]pentadeca-1(15),3,5,7,11,13-hexaen-5-yl}acetyl)oxy]oxane-2-carboxylic acidFormula:
C22H20O10Smiles:
O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.39 | Num_heavy_atoms: | 32 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD55014
Formula: C16H12O4
Smiles:
O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
