Glycoside
GD008562
Name:
DIONCOQUINONE AFormula:
C17H18O10Smiles:
CC1=C(O)C(=O)c2c(ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2O)C1=OAglycone:
CC1=C(O)C(=O)c2c(ccc(O)c2O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.32 | Num_heavy_atoms: | 27 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD06824
Formula: C11H8O5
Smiles:
CC1=C(O)C(=O)c2c(ccc(O)c2O)C1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.18 | Num_heavy_atoms: | 16 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
