Glycoside

GD101736
Name:
NoneFormula:
C21H22O6N4SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1ccc(-n2cccn2)nc1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(-n2cccn2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.29 |
AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
MolWt: | 458.5 | Num_heavy_atoms: | 32 |
TPSA: | 149.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD43081
Formula: C15H12ON4S
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(-n2cccn2)nc1HBA: | 5 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
MolWt: | 296.36 | Num_heavy_atoms: | 21 |
TPSA: | 59.81 | NumAromaticRings: | 3 |