Glycoside
GD027850
Name:
NoneFormula:
C20H18O7N2SSmiles:
O=C(Nc1ccc2c(c1)OCO2)c1ccc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nc2c1Aglycone:
O=C(Nc1ccc2c(c1)OCO2)c1ccc2scnc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.44 | Num_heavy_atoms: | 30 |
| TPSA: | 130.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD18256
Formula: C15H10O3N2S
Smiles:
O=C(Nc1ccc2c(c1)OCO2)c1ccc2scnc2c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.32 | Num_heavy_atoms: | 21 |
| TPSA: | 60.45 | NumAromaticRings: | 3 |
