Glycoside
GD113685
Name:
NoneFormula:
C44H23O8N5Cl6Smiles:
O=C(Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(=O)c2ccc(Cl)cc2Cl)[C@H]1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Aglycone:
COC(=O)c1ccc(Cl)cc1Cl.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1.O=C(O)c1ccc(Cl)cc1Cl.O=C(O)c1ccc(Cl)cc1ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 9.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 890.35 | Num_heavy_atoms: | 57 |
| TPSA: | 160.83 | NumAromaticRings: | 6 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD44819
Formula: C10H6O2Cl2
Smiles:
COC(=O)c1ccc(Cl)cc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.04 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44820
Formula: C9H4O2Cl2
Smiles:
O=C(O)c1ccc(Cl)cc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.01 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
