Glycoside
GD093099
Name:
NoneFormula:
C22H26O5N3FSmiles:
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H]1OAglycone:
CC(=O)N(C)Cc1ccccc1.CNC(=O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.46 | Num_heavy_atoms: | 31 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
AD21380
Formula: C8H9ON2F
Smiles:
CNC(=O)Nc1cccc(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.17 | Num_heavy_atoms: | 12 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
