Glycoside
GD084093
Name:
NoneFormula:
C19H22O7N2SSmiles:
O=C(COc1ccccn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(COc1ccccn1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.46 | Num_heavy_atoms: | 29 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD37528
Formula: C13H12O2N2S
Smiles:
O=C(COc1ccccn1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.32 | Num_heavy_atoms: | 18 |
| TPSA: | 51.22 | NumAromaticRings: | 2 |
