Glycoside
GD004294
Name:
NoneFormula:
C12H17O4N3SSmiles:
OCC1OC(c2nc(C3=NCCCN3)cs2)C(O)C1OAglycone:
c1nc(C2=NCCCN2)cs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.35 | Num_heavy_atoms: | 20 |
| TPSA: | 107.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD03769
Formula: C7H9N3S
Smiles:
c1nc(C2=NCCCN2)cs1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.24 | Num_heavy_atoms: | 11 |
| TPSA: | 37.28 | NumAromaticRings: | 1 |
