Glycoside
GD072996
Name:
NoneFormula:
C13H15O6N2BrSmiles:
O=C(C(=O)N1Cc2cc(Br)cnc2C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Brc1cnc2c(c1)CNC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.18 | Num_heavy_atoms: | 22 |
| TPSA: | 131.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD33933
Formula: C7H7N2Br
Smiles:
Brc1cnc2c(c1)CNC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 199.05 | Num_heavy_atoms: | 10 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
