Glycoside
GD018087
Name:
NoneFormula:
C18H18O4N9ClSmiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(NCc5ccco5)nc(Cl)nc43)[C@H](O)[C@H]2O)n1Aglycone:
CCn1ncnn1.Clc1nc2c(c(NCc3ccco3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.84 | Num_heavy_atoms: | 31 |
| TPSA: | 162.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 43.6 | NumAromaticRings: | 1 |
AD12817
Formula: C11H7ON5Cl
Smiles:
Clc1nc2c(c(NCc3ccco3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.65 | Num_heavy_atoms: | 17 |
| TPSA: | 77.41 | NumAromaticRings: | 2 |
