Glycoside
GD010751
Name:
NoneFormula:
C28H30O8N6Smiles:
COc1cc(NC(=O)CC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
CCC(=O)Nc1cc(OC)c(OC)c(OC)c1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.58 | Num_heavy_atoms: | 42 |
| TPSA: | 179.18 | NumAromaticRings: | 4 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD08257
Formula: C12H17O4N
Smiles:
CCC(=O)Nc1cc(OC)c(OC)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 239.27 | Num_heavy_atoms: | 17 |
| TPSA: | 56.79 | NumAromaticRings: | 1 |
