Glycoside
GD004786
Name:
NoneFormula:
C22H22O8Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(CC3OC(CO)C(O)C(O)C3O)ccc12Aglycone:
Cc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD04136
Formula: C16H12O3
Smiles:
Cc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 252.27 | Num_heavy_atoms: | 19 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
