Glycoside
GD020790
Name:
NoneFormula:
C20H23O5N7Smiles:
CNC(=O)[C@@H]1OC(n2cnc3c(NCc4cccc(NC(C)=O)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(=O)Nc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.45 | Num_heavy_atoms: | 32 |
| TPSA: | 163.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD14299
Formula: C14H13ON6
Smiles:
CC(=O)Nc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.3 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
