Glycoside
GD092375
Name:
NoneFormula:
C16H15O6N4BrSmiles:
N#Cc1cnn(-c2ccccc2Br)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
N#Cc1cnn(-c2ccccc2Br)c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.22 | Num_heavy_atoms: | 27 |
| TPSA: | 168.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD40302
Formula: C10H7N4Br
Smiles:
N#Cc1cnn(-c2ccccc2Br)c1N| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 263.1 | Num_heavy_atoms: | 15 |
| TPSA: | 67.63 | NumAromaticRings: | 2 |
