Glycoside
GD095789
Name:
NoneFormula:
C23H24O8N6Smiles:
CC(C)[C@H](C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1)N1C(=O)c2ccccc2C1=OAglycone:
CC(C)C(C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2)N1C(=O)c2ccccc2C1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.48 | Num_heavy_atoms: | 37 |
| TPSA: | 199.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD40821
Formula: C18H15O4N6
Smiles:
CC(C)C(C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2)N1C(=O)c2ccccc2C1=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.36 | Num_heavy_atoms: | 28 |
| TPSA: | 138.69 | NumAromaticRings: | 2 |
