Glycoside
GD020776
Name:
NoneFormula:
C39H26O7N4Cl4Smiles:
O=C(OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Aglycone:
COC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12.O=C(O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 6.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.43 | Num_heavy_atoms: | 50 |
| TPSA: | 137.93 | NumAromaticRings: | 6 |
Unique Aglycone
AD08272
Formula: C18H12O2N2Cl2
Smiles:
COC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.19 | Num_heavy_atoms: | 22 |
| TPSA: | 44.12 | NumAromaticRings: | 3 |
AD12340
Formula: C17H10O2N2Cl2
Smiles:
O=C(O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.16 | Num_heavy_atoms: | 21 |
| TPSA: | 55.12 | NumAromaticRings: | 3 |
