Glycoside
GD019368
Name:
NoneFormula:
C23H29O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCCCC(=O)NCc2ccccc2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCCCCC(=O)NCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 483.53 | Num_heavy_atoms: | 35 |
| TPSA: | 177.51 | 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 |
AD13530
Formula: C14H20O2N2
Smiles:
O=CNCCCCCC(=O)NCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 248.33 | Num_heavy_atoms: | 18 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
