Glycoside
GD004552
Name:
NoneFormula:
C21H22O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#C[C@H](O)c4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 168.64 | 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 |
AD02617
Formula: C14H10ON5
Smiles:
Nc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.27 | Num_heavy_atoms: | 20 |
| TPSA: | 98.49 | NumAromaticRings: | 2 |
