Glycoside
GD087931
Name:
NoneFormula:
C18H24O9N2SSmiles:
O=C(C(=O)N1CCOC[C@]2(C1)CN(c1ccsc1)C(=O)CO2)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=C1COC2(CNCCOC2)CN1c1ccsc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.46 | Num_heavy_atoms: | 30 |
| TPSA: | 157.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD38547
Formula: C12H16O3N2S
Smiles:
O=C1COC2(CNCCOC2)CN1c1ccsc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.34 | Num_heavy_atoms: | 18 |
| TPSA: | 50.8 | NumAromaticRings: | 1 |
