Glycoside
GD024993
Name:
NoneFormula:
C20H28O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC)nc(C#CCCCCO)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNc1nc(C#CCCCCO)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.48 | Num_heavy_atoms: | 31 |
| TPSA: | 154.65 | 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 |
AD16619
Formula: C13H16ON5
Smiles:
CCNc1nc(C#CCCCCO)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 258.3 | Num_heavy_atoms: | 19 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
