Glycoside
GD077645
Name:
NoneFormula:
C18H26O5N2SSmiles:
CN1CCC=C(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)C1Aglycone:
CN1CCC=C(Nc2ccc(S)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.48 | Num_heavy_atoms: | 26 |
| TPSA: | 105.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD35533
Formula: C12H16N2S
Smiles:
CN1CCC=C(Nc2ccc(S)cc2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.34 | Num_heavy_atoms: | 15 |
| TPSA: | 15.27 | NumAromaticRings: | 1 |
