Glycoside
GD011355
Name:
NoneFormula:
C21H17O4N5Cl2Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@H]1OAglycone:
Clc1cccc(CNc2nc(Cl)nc3c2N=C[N]3)c1Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.28 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD08689
Formula: C14H8N5Cl2
Smiles:
Clc1cccc(CNc2nc(Cl)nc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
