Glycoside
GD086417
Name:
NoneFormula:
C20H28O6N3FSmiles:
O=C(C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O)NCCN1CCOCC1Aglycone:
CC(=O)NCCN1CCOCC1.CNC(=O)c1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 425.46 | Num_heavy_atoms: | 30 |
| TPSA: | 120.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD21327
Formula: C8H8ONF
Smiles:
CNC(=O)c1cccc(F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD30366
Formula: C8H16O2N2
Smiles:
CC(=O)NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
