Glycoside
GD116727
Name:
methyl 3,4,5-trihydroxy-6-[(5-hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]oxane-2-carboxylateFormula:
C23H22O11Smiles:
COC(=O)C1OC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2OC)C(O)C(O)C1OAglycone:
COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1OSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 165.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD15453
Formula: C16H12O5
Smiles:
COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
