Glycoside
GD020982
Name:
NoneFormula:
C40H30O8N4Cl4Smiles:
O=C(OC(C(O)CO)C(OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)C(O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Aglycone:
O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12.O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Sugarmoiety:
OCC(O)C(OO)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 13 |
| MolWt: | 788.47 | Num_heavy_atoms: | 52 |
| TPSA: | 169.16 | NumAromaticRings: | 6 |
Unique Aglycone
AD06524
Formula: C17H10ON2Cl2
Smiles:
O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.16 | Num_heavy_atoms: | 20 |
| TPSA: | 34.89 | NumAromaticRings: | 3 |
