Glycoside
GD117779
Name:
3-oxo-3-({3,4,5-trihydroxy-6-[(2-hydroxy-5-methoxy-1-oxo-7-phenyl-1H-phenalen-6-yl)oxy]oxan-2-yl}methoxy)propanoic acidFormula:
C29H26O12Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O)C(=O)C(O)=C2Aglycone:
COC(=O)CC(=O)O.COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)C(O)=C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.52 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD47007
Formula: C20H14O4
Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)C(O)=C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.33 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 3 |
