Glycoside
GD003677
Name:
NoneFormula:
C22H25O4N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#CNCCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.49 | Num_heavy_atoms: | 33 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD03308
Formula: C15H13N6
Smiles:
Nc1nc(C#CNCCc2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 277.31 | Num_heavy_atoms: | 21 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
