Glycoside
GD013422
Name:
NoneFormula:
C18H27O10NSSmiles:
O=C(N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@](O)(CO)C[C@H](O)[C@H]1O)c1cccs1Aglycone:
NC(=O)c1cccs1.OCC1(O)CC(O)C(O)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.48 | Num_heavy_atoms: | 30 |
| TPSA: | 189.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD03790
Formula: C7H14O5
Smiles:
OCC1(O)CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
AD10017
Formula: C5H5ONS
Smiles:
NC(=O)c1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.17 | Num_heavy_atoms: | 8 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
