Glycoside
GD127449
Name:
5-{[6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C20H28O12Smiles:
COc1ccc(OC2OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C2O)cc1OCAglycone:
COC(=O)CC(C)(O)CC(=O)O.COc1ccc(O)cc1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 460.43 | Num_heavy_atoms: | 32 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD12240
Formula: C8H10O3
Smiles:
COc1ccc(O)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
