Glycoside
GD132165
Name:
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetateFormula:
C24H24O12Smiles:
COc1c(O)c(C2OC(COC(C)=O)C(O)C(O)C2O)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OAglycone:
COC(C)=O.COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10220
Formula: C16H12O6
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
