Glycoside
GD014237
Name:
NoneFormula:
C25H26O11N4Smiles:
CC(=O)C[C@@H]1O[C@H](On2cc(CN3C(=O)C(=O)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
O=C1C(=O)N(Cc2cn(O)nn2)c2ccccc21Sugarmoiety:
CC(=O)CC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 558.5 | Num_heavy_atoms: | 40 |
| TPSA: | 182.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD10497
Formula: C11H8O3N4
Smiles:
O=C1C(=O)N(Cc2cn(O)nn2)c2ccccc21| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.21 | Num_heavy_atoms: | 18 |
| TPSA: | 88.32 | NumAromaticRings: | 2 |
