Glycoside
GD030462
Name:
NoneFormula:
C27H22O4N5Cl3Smiles:
O[C@@H]1[C@H](COCc2ccc(Cl)cc2)O[C@H](n2c(NCc3ccc(Cl)c(Cl)c3)nc3cncnc32)[C@H]1OAglycone:
COCc1ccc(Cl)cc1.Clc1ccc(CNC2=Nc3cncnc3[N]2)cc1ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.83 | Num_heavy_atoms: | 36 |
| TPSA: | 114.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD00252
Formula: C9H9OCl
Smiles:
COCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.61 | Num_heavy_atoms: | 10 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD19711
Formula: C14H8N5Cl2
Smiles:
Clc1ccc(CNC2=Nc3cncnc3[N]2)cc1Cl| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 293.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
