Glycoside
GD068134
Name:
NoneFormula:
C15H21O4N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCCSCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCCSCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 367.43 | Num_heavy_atoms: | 25 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD32324
Formula: C10H12N5S
Smiles:
C1=Nc2c(ncnc2N2CCCSCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.31 | Num_heavy_atoms: | 16 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
