Glycoside
GD017769
Name:
NoneFormula:
C19H25O3N9Smiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(N[C@@H]5C[C@@H]6CC[C@H]5C6)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1.CCn1ncnn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.47 | Num_heavy_atoms: | 31 |
| 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 |
AD00439
Formula: C12H14N5
Smiles:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
