Glycoside
GD098716
Name:
NoneFormula:
C21H26O7N4SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cncc(N2CCOCC2)n1Aglycone:
O=C(Nc1ccc(S)cc1)c1cncc(N2CCOCC2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.53 | Num_heavy_atoms: | 33 |
| TPSA: | 157.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD41991
Formula: C15H16O2N4S
Smiles:
O=C(Nc1ccc(S)cc1)c1cncc(N2CCOCC2)n1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.39 | Num_heavy_atoms: | 22 |
| TPSA: | 67.35 | NumAromaticRings: | 2 |
