Glycoside
GD014769
Name:
NoneFormula:
C32H26O5N6Cl2Smiles:
O=C(NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1O)c1cc(Cl)cc(Cl)c1Aglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)c1cc(Cl)cc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 621.48 | Num_heavy_atoms: | 43 |
| TPSA: | 143.65 | NumAromaticRings: | 5 |
Unique Aglycone
AD00191
Formula: C18H14ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
AD10821
Formula: C10H7ONCl2
Smiles:
CNC(=O)c1cc(Cl)cc(Cl)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.06 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
