Glycoside
GD081242
Name:
NoneFormula:
C20H25O7N2FSmiles:
O=C(C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=C1N(Cc2cccc(F)c2)CCC12CCNC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 424.43 | Num_heavy_atoms: | 30 |
| TPSA: | 138.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD36628
Formula: C14H17ON2F
Smiles:
O=C1N(Cc2cccc(F)c2)CCC12CCNC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.3 | Num_heavy_atoms: | 18 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
