Glycoside
GD020143
Name:
NoneFormula:
C25H30O6N6Smiles:
CCC(C)C(CO)NC(=O)C=C[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C=CC(=O)NC(CO)C(C)CC.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 510.55 | Num_heavy_atoms: | 37 |
| TPSA: | 171.72 | NumAromaticRings: | 3 |
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 |
AD13952
Formula: C9H17O2N
Smiles:
C=CC(=O)NC(CO)C(C)CC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 171.24 | Num_heavy_atoms: | 12 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
