Glycoside
GD149718
Name:
sinapigladiosideFormula:
C21H27O9NSSmiles:
COC1C(O)COC(OC2C(C)OC(Oc3ccc(C=CN=C=S)cc3)C(O)C2O)C1OAglycone:
Oc1ccc(C=CN=C=S)cc1Sugarmoiety:
COC1C(O)COC(OC2C(C)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.51 | Num_heavy_atoms: | 32 |
| TPSA: | 139.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD59854
Formula: C9H7ONS
Smiles:
Oc1ccc(C=CN=C=S)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.23 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
