Glycoside
GD103213
Name:
NoneFormula:
C23H28O6N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@H]1CCN1Cc1ccccc1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCN1Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.55 | Num_heavy_atoms: | 32 |
| TPSA: | 122.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD43671
Formula: C17H18ON2S
Smiles:
O=C(Nc1ccc(S)cc1)C1CCN1Cc1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.41 | Num_heavy_atoms: | 21 |
| TPSA: | 32.34 | NumAromaticRings: | 2 |
