Glycoside
GD076458
Name:
NoneFormula:
C16H24O7N2SSmiles:
C=CCSCC(=O)N1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1Aglycone:
C=CCSCC(=O)N1CC2(CCN2C=O)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.44 | Num_heavy_atoms: | 26 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD35256
Formula: C11H16O2N2S
Smiles:
C=CCSCC(=O)N1CC2(CCN2C=O)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 240.33 | Num_heavy_atoms: | 16 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
