Glycoside
GD071899
Name:
NoneFormula:
C12H13O6N4BrSmiles:
O=C(/N=c1\nc[nH]n2c(Br)ccc12)/C(O)=C(\O)[C@@H](O)[C@@H](O)COAglycone:
O=C(CO)N=c1nc[nH]n2c(Br)ccc12Sugarmoiety:
O=C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 389.16 | Num_heavy_atoms: | 23 |
| TPSA: | 163.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD33739
Formula: C8H7O2N4Br
Smiles:
O=C(CO)N=c1nc[nH]n2c(Br)ccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 271.07 | Num_heavy_atoms: | 15 |
| TPSA: | 82.75 | NumAromaticRings: | 2 |
