Glycoside
GD119655
Name:
Genoketide A2Formula:
C21H22O10Smiles:
CC(=O)Cc1cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2c(O)c1C(C)=OAglycone:
CC(=O)Cc1cc2cccc(O)c2c(O)c1C(C)=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 170.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD47978
Formula: C15H14O4
Smiles:
CC(=O)Cc1cc2cccc(O)c2c(O)c1C(C)=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
