Glycoside
GD010970
Name:
NoneFormula:
C23H24O6N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)NCC(O)COc2cccc3ccccc23)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCC(O)COc1cccc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.48 | Num_heavy_atoms: | 35 |
| TPSA: | 177.87 | 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 |
AD08413
Formula: C14H15O3N
Smiles:
O=CNCC(O)COc1cccc2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 245.28 | Num_heavy_atoms: | 18 |
| TPSA: | 58.56 | NumAromaticRings: | 2 |
