Glycoside
GD036313
Name:
NoneFormula:
C23H22O12Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(C(=O)O)c(C)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(O)c(C(=O)O)c(C)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD22916
Formula: C17H12O7
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(O)c(C(=O)O)c(C)c1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.28 | Num_heavy_atoms: | 24 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
