Glycoside
GD022788
Name:
NoneFormula:
C17H19O3N9SSmiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(NCc5cccs5)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
C1=Nc2c(ncnc2NCc2cccs2)[N]1.CCn1ncnn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.47 | Num_heavy_atoms: | 30 |
| TPSA: | 148.92 | 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 |
AD04512
Formula: C10H8N5S
Smiles:
C1=Nc2c(ncnc2NCc2cccs2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.28 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
