Glycoside
GD035858
Name:
NoneFormula:
C20H20O6N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2OC=O)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNC1c2ccccc2CC1OC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.42 | Num_heavy_atoms: | 32 |
| TPSA: | 174.71 | 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 |
AD22661
Formula: C11H11O3N
Smiles:
O=CNC1c2ccccc2CC1OC=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
