Glycoside
GD027869
Name:
NoneFormula:
C23H22O6Cl2Smiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc(Cl)cc3)c(Cl)c3c2OCC3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cc2ccc3c(c2Cl)CCO3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 441.31 | Num_heavy_atoms: | 29 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD18271
Formula: C17H12OCl2
Smiles:
Clc1ccc(Cc2ccc3c(c2Cl)CCO3)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 279.17 | Num_heavy_atoms: | 18 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
