Glycoside
GD006759
Name:
NoneFormula:
C22H28O4N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC)nc(C#CC4=CCCCC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNc1nc(C#CC2=CCCCC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.5 | Num_heavy_atoms: | 32 |
| TPSA: | 134.42 | NumAromaticRings: | 2 |
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 |
AD05558
Formula: C15H16N5
Smiles:
CCNc1nc(C#CC2=CCCCC2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.33 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
