Glycoside
GD027026
Name:
NoneFormula:
C26H30O5N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCCC(=O)O)Cc2ccc3ccccc3c2)[C@H](O)[C@H]1OAglycone:
CN(CCCCC(=O)O)Cc1ccc2ccccc2c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 506.56 | Num_heavy_atoms: | 37 |
| TPSA: | 159.85 | NumAromaticRings: | 4 |
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 |
AD17789
Formula: C17H21O2N
Smiles:
CN(CCCCC(=O)O)Cc1ccc2ccccc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 271.36 | Num_heavy_atoms: | 20 |
| TPSA: | 40.54 | NumAromaticRings: | 2 |
