Glycoside
GD136990
Name:
ethyl 3,4,5-trihydroxy-6-{[8-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylateFormula:
C23H22O11Smiles:
CCOC(=O)C1OC(Oc2ccc3c(=O)cc(-c4ccc(O)cc4)oc3c2O)C(O)C(O)C1OAglycone:
CCOC=O.O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD10917
Formula: C3H6O2
Smiles:
CCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50274
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
