Glycoside
GD099137
Name:
NoneFormula:
C17H20O7N2S3Smiles:
O=C(CN1C(=O)CSC1=S)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(CN1C(=O)CSC1=S)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.56 | Num_heavy_atoms: | 29 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD42199
Formula: C11H10O2N2S3
Smiles:
O=C(CN1C(=O)CSC1=S)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.41 | Num_heavy_atoms: | 18 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
