Glycoside
GD035551
Name:
NoneFormula:
C22H27O6N7Smiles:
NC(=O)CCCN(Cc1cccc(C(=O)O)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CCCC(N)=O)Cc1cccc(C(=O)O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 485.5 | Num_heavy_atoms: | 35 |
| TPSA: | 202.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD22488
Formula: C13H18O3N2
Smiles:
CN(CCCC(N)=O)Cc1cccc(C(=O)O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 250.3 | Num_heavy_atoms: | 18 |
| TPSA: | 83.63 | NumAromaticRings: | 1 |
