Glycoside
GD120637
Name:
Apigenin 6-C-Glucosyl-7-O-(6-Malyl-Glucoside)Formula:
C31H34O19Smiles:
O=C(CC(O)C(=O)O)OCC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)CC(O)C(=O)O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.45 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 710.59 | Num_heavy_atoms: | 50 |
| TPSA: | 323.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| 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 |
AD45034
Formula: C5H8O5
Smiles:
COC(=O)CC(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.11 | Num_heavy_atoms: | 10 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
