Glycoside
GD103182
Name:
NoneFormula:
C21H32O5N6SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCC3CCCCC3)ncnc21Aglycone:
COCCO.S=C(NCC1CCCCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 480.59 | Num_heavy_atoms: | 33 |
| 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 |
AD43653
Formula: C13H17N6S
Smiles:
S=C(NCC1CCCCC1)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.39 | Num_heavy_atoms: | 20 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
