Glycoside
GD097726
Name:
NoneFormula:
C15H15O8N2SBrSmiles:
COC(=O)c1sc2cc(Br)cnc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
COC(=O)c1sc2cc(Br)cnc2c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 463.26 | Num_heavy_atoms: | 27 |
| TPSA: | 166.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD41601
Formula: C9H7O2N2SBr
Smiles:
COC(=O)c1sc2cc(Br)cnc2c1N| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.14 | Num_heavy_atoms: | 15 |
| TPSA: | 65.21 | NumAromaticRings: | 2 |
