Glycoside
GD081348
Name:
NoneFormula:
C14H16O6N3BrSmiles:
Cn1nc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2ccc(Br)cc21Aglycone:
Cn1nc(N)c2ccc(Br)cc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.2 | Num_heavy_atoms: | 24 |
| TPSA: | 144.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD36654
Formula: C8H8N3Br
Smiles:
Cn1nc(N)c2ccc(Br)cc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 226.08 | Num_heavy_atoms: | 12 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
