Glycoside
GD088571
Name:
NoneFormula:
C16H24O6N6SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCOC)ncnc21Aglycone:
COCCO.COCNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 428.47 | Num_heavy_atoms: | 29 |
| TPSA: | 145.04 | 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 |
AD31307
Formula: C8H9ON6S
Smiles:
COCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.27 | Num_heavy_atoms: | 16 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
