Glycoside
GD138252
Name:
3-oxo-3-({3,4,5-trihydroxy-6-[(4-oxo-2-phenyl-4H-chromen-3-yl)oxy]oxan-2-yl}methoxy)propanoic acidFormula:
C24H22O11Smiles:
O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccccc3)oc3ccccc3c2=O)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.O=c1c(O)c(-c2ccccc2)oc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.43 | Num_heavy_atoms: | 35 |
| TPSA: | 172.96 | 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 |
AD17825
Formula: C15H10O3
Smiles:
O=c1c(O)c(-c2ccccc2)oc2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.24 | Num_heavy_atoms: | 18 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
