Glycoside
GD014020
Name:
NoneFormula:
C21H21O6N7Smiles:
COc1cccc(-c2cc(CNC(=O)[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)no2)c1Aglycone:
COc1cccc(-c2cc(CNC=O)no2)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.44 | Num_heavy_atoms: | 34 |
| TPSA: | 183.67 | NumAromaticRings: | 4 |
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 |
AD10383
Formula: C12H12O3N2
Smiles:
COc1cccc(-c2cc(CNC=O)no2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.36 | NumAromaticRings: | 2 |
