Glycoside
GD092365
Name:
NoneFormula:
C18H21O6N2BrSmiles:
N#CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1Aglycone:
N#CC1(c2ccc(Br)cc2)CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.28 | Num_heavy_atoms: | 27 |
| TPSA: | 142.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD40300
Formula: C12H13N2Br
Smiles:
N#CC1(c2ccc(Br)cc2)CCNCC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 265.15 | Num_heavy_atoms: | 15 |
| TPSA: | 35.82 | NumAromaticRings: | 1 |
