Glycoside
GD026792
Name:
NoneFormula:
C20H24O4N7ClSmiles:
Cc1cc(C)n(C[C@@H]2O[C@H](n3cnc4c(N[C@@H]5CCOC5)nc(Cl)nc43)[C@H](O)[C@H]2O)n1Aglycone:
Cc1cc(C)n(C)n1.Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 449.9 | Num_heavy_atoms: | 31 |
| TPSA: | 132.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00046
Formula: C10H9ON5Cl
Smiles:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.66 | Num_heavy_atoms: | 16 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD00279
Formula: C6H10N2
Smiles:
Cc1cc(C)n(C)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.16 | Num_heavy_atoms: | 8 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
