Glycoside
GD026725
Name:
NoneFormula:
C23H25O10N4SBrSmiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C2C(=O)Nc3ccc(Br)cc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)NN=C1C(=O)Nc2ccc(Br)cc21Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 629.44 | Num_heavy_atoms: | 39 |
| TPSA: | 179.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD17602
Formula: C9H7ON4SBr
Smiles:
NC(=S)NN=C1C(=O)Nc2ccc(Br)cc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 299.15 | Num_heavy_atoms: | 16 |
| TPSA: | 79.51 | NumAromaticRings: | 1 |
