Glycoside
GD102882
Name:
NoneFormula:
C19H28O5N6SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NC3CCCC3)ncnc21Aglycone:
COCCO.S=C(Nc1ncnc2c1N=C[N]2)NC1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.54 | Num_heavy_atoms: | 31 |
| TPSA: | 135.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD39896
Formula: C11H13N6S
Smiles:
S=C(Nc1ncnc2c1N=C[N]2)NC1CCCC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.33 | Num_heavy_atoms: | 18 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
