Glycoside
GD097692
Name:
NoneFormula:
C20H21O8N3SSmiles:
Cc1cc2cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cnc2n1S(=O)(=O)c1ccccc1Aglycone:
Cc1cc2cc(N)cnc2n1S(=O)(=O)c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 463.47 | Num_heavy_atoms: | 32 |
| TPSA: | 179.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD41593
Formula: C14H13O2N3S
Smiles:
Cc1cc2cc(N)cnc2n1S(=O)(=O)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 287.34 | Num_heavy_atoms: | 20 |
| TPSA: | 77.98 | NumAromaticRings: | 3 |
