Glycoside
GD032733
Name:
NoneFormula:
C22H27O7N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2cccc(C(=O)O)c2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)Cc1cccc(C(=O)O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 501.5 | Num_heavy_atoms: | 36 |
| TPSA: | 223.17 | 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 |
AD20951
Formula: C13H18O4N2
Smiles:
CN(CCC(N)C(=O)O)Cc1cccc(C(=O)O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 266.3 | Num_heavy_atoms: | 19 |
| TPSA: | 103.86 | NumAromaticRings: | 1 |
