Glycoside
GD055747
Name:
NoneFormula:
C15H19O6N2FSmiles:
O=C(NCC1(c2ccc(F)cn2)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
NCC1(c2ccc(F)cn2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.32 | Num_heavy_atoms: | 24 |
| TPSA: | 139.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD28130
Formula: C9H11N2F
Smiles:
NCC1(c2ccc(F)cn2)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.2 | Num_heavy_atoms: | 12 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
