Glycoside
GD109169
Name:
NoneFormula:
C27H28O7N6Smiles:
CC(C)C(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1Aglycone:
CC(C)C(=O)Nc1nc2c(c(OC(=O)N(c3ccccc3)c3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.56 | Num_heavy_atoms: | 40 |
| TPSA: | 172.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD44524
Formula: C22H19O3N6
Smiles:
CC(C)C(=O)Nc1nc2c(c(OC(=O)N(c3ccccc3)c3ccccc3)n1)N=C[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.43 | Num_heavy_atoms: | 31 |
| TPSA: | 110.88 | NumAromaticRings: | 3 |
