Glycoside
GD085176
Name:
NoneFormula:
C16H16O5N3BrSmiles:
N#Cc1cnc2cc(Br)ccc2c1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#Cc1cnc2cc(Br)ccc2c1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.22 | Num_heavy_atoms: | 25 |
| TPSA: | 138.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD38101
Formula: C10H6N3Br
Smiles:
N#Cc1cnc2cc(Br)ccc2c1N| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.08 | Num_heavy_atoms: | 14 |
| TPSA: | 62.7 | NumAromaticRings: | 2 |
