Glycoside
GD033103
Name:
NoneFormula:
C19H25O4N7SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#CCN4CCSCC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#CCN2CCSCC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.52 | Num_heavy_atoms: | 31 |
| TPSA: | 151.65 | 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 |
AD21153
Formula: C12H13N6S
Smiles:
Nc1nc(C#CCN2CCSCC2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.34 | Num_heavy_atoms: | 19 |
| TPSA: | 81.5 | NumAromaticRings: | 1 |
