Glycoside
GD028207
Name:
NoneFormula:
C18H20O6N6Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)NCc3ccccc3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COC(=O)NCc1ccccc1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.39 | Num_heavy_atoms: | 30 |
| TPSA: | 177.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00054
Formula: C9H11O2N
Smiles:
COC(=O)NCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
