Glycoside
GD082100
Name:
NoneFormula:
C17H23O8NSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@H]1COCCO1Aglycone:
O=C(Nc1ccc(S)cc1)C1COCCO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.44 | Num_heavy_atoms: | 27 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD36864
Formula: C11H13O3NS
Smiles:
O=C(Nc1ccc(S)cc1)C1COCCO1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.3 | Num_heavy_atoms: | 16 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
