Glycoside
GD027347
Name:
NoneFormula:
C21H23O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)[C@H](O)[C@H]1OAglycone:
COC(=O)NCCc1c[nH]c2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 453.46 | Num_heavy_atoms: | 33 |
| TPSA: | 173.43 | 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 |
AD00826
Formula: C12H14O2N2
Smiles:
COC(=O)NCCc1c[nH]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.26 | Num_heavy_atoms: | 16 |
| TPSA: | 54.12 | NumAromaticRings: | 2 |
