Glycoside
GD024959
Name:
NoneFormula:
C30H34O5N6Smiles:
CN(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 558.64 | Num_heavy_atoms: | 41 |
| TPSA: | 147.99 | NumAromaticRings: | 4 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD16601
Formula: C20H24O2N2
Smiles:
CN(C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.42 | Num_heavy_atoms: | 24 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
