Glycoside
GD101122
Name:
NoneFormula:
C21H26O7N2S2Smiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(N2CCOCC2)s1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(N2CCOCC2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.58 | Num_heavy_atoms: | 32 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD42738
Formula: C15H16O2N2S2
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(N2CCOCC2)s1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.44 | Num_heavy_atoms: | 21 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
