Glycoside
GD149990
Name:
3-oxo-3-({3,4,5-trihydroxy-6-[4-hydroxy-5-methyl-2-(propan-2-yl)phenoxy]oxan-2-yl}methoxy)propanoic acidFormula:
C19H26O10Smiles:
Cc1cc(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)c(C(C)C)cc1OAglycone:
COC(=O)CC(=O)O.Cc1cc(O)c(C(C)C)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.41 | Num_heavy_atoms: | 29 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
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 |
AD30274
Formula: C10H14O2
Smiles:
Cc1cc(O)c(C(C)C)cc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
