Glycoside
GD006137
Name:
NoneFormula:
C20H25O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)COCc2ccccc2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)COCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.46 | Num_heavy_atoms: | 32 |
| TPSA: | 183.66 | 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 |
AD05106
Formula: C11H16O2N2
Smiles:
CNC(=O)C(N)COCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 64.35 | NumAromaticRings: | 1 |
