Glycoside
GD019516
Name:
NoneFormula:
C17H18O8N2SSmiles:
O=C1NC(=S)NC(=O)C1=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C1NC(=S)NC(=O)C1=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.4 | Num_heavy_atoms: | 28 |
| TPSA: | 157.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD06447
Formula: C11H8O3N2S
Smiles:
O=C1NC(=S)NC(=O)C1=Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.26 | Num_heavy_atoms: | 17 |
| TPSA: | 78.43 | NumAromaticRings: | 1 |
