Glycoside
GD100916
Name:
NoneFormula:
C22H31O8NSSmiles:
CC1(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CCC2(CC1)OCCO2Aglycone:
CC1(C(=O)Nc2ccc(S)cc2)CCC2(CC1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.56 | Num_heavy_atoms: | 32 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD42643
Formula: C16H21O3NS
Smiles:
CC1(C(=O)Nc2ccc(S)cc2)CCC2(CC1)OCCO2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 307.42 | Num_heavy_atoms: | 21 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
