Glycoside
GD000054
Name:
NoneFormula:
C21H19O7N5Smiles:
CN1C(=O)c2c(n3ccnc3c3c2c2cccnc2n3[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1=OAglycone:
CN1C(=O)c2c3c(c4nccn4c2C1=O)[N]c1ncccc1-3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 453.41 | Num_heavy_atoms: | 33 |
| TPSA: | 162.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD00073
Formula: C15H8O2N5
Smiles:
CN1C(=O)c2c3c(c4nccn4c2C1=O)[N]c1ncccc1-3| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.26 | Num_heavy_atoms: | 22 |
| TPSA: | 81.67 | NumAromaticRings: | 3 |
