Glycoside
GD033918
Name:
NoneFormula:
C16H21O3N9Smiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(NCC5CC5)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
C1=Nc2c(ncnc2NCC2CC2)[N]1.CCn1ncnn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.4 | Num_heavy_atoms: | 28 |
| TPSA: | 148.92 | NumAromaticRings: | 3 |
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 |
AD01759
Formula: C9H10N5
Smiles:
C1=Nc2c(ncnc2NCC2CC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 188.21 | Num_heavy_atoms: | 14 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
