Glycoside
GD107112
Name:
NoneFormula:
C25H28O7N3FSmiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)c1ccc2c(c1)OCO2Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CNC(=O)c1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 501.51 | Num_heavy_atoms: | 36 |
| TPSA: | 120.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD21326
Formula: C12H15ON2F
Smiles:
CC(=O)N1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.26 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD36295
Formula: C9H9O3N
Smiles:
CNC(=O)c1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
