Glycoside
GD007151
Name:
NoneFormula:
C22H29O6NSSmiles:
CCCCn1cc(-c2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(C)c2)ccc1=OAglycone:
CCCCn1cc(-c2ccc(S)c(C)c2)ccc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.54 | Num_heavy_atoms: | 30 |
| TPSA: | 112.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD05844
Formula: C16H19ONS
Smiles:
CCCCn1cc(-c2ccc(S)c(C)c2)ccc1=O| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 273.4 | Num_heavy_atoms: | 19 |
| TPSA: | 22.0 | NumAromaticRings: | 2 |
