Glycoside
GD000174
Name:
NoneFormula:
C21H22O9Smiles:
Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cc(O)cc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 167.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00211
Formula: C15H12O4
Smiles:
Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
