Glycoside
GD019922
Name:
NoneFormula:
C21H20O6N2SSmiles:
O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n1Aglycone:
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cscn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.47 | Num_heavy_atoms: | 30 |
| TPSA: | 121.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD13831
Formula: C16H12O2N2S
Smiles:
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cscn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.35 | Num_heavy_atoms: | 21 |
| TPSA: | 51.22 | NumAromaticRings: | 3 |
