Glycoside
GD097506
Name:
NoneFormula:
C20H24O10N3FSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc(F)cc2C(N)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)c1cc(F)cnc1NSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.42 | Num_heavy_atoms: | 34 |
| TPSA: | 182.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD41473
Formula: C6H6ON3F
Smiles:
NC(=O)c1cc(F)cnc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.13 | Num_heavy_atoms: | 11 |
| TPSA: | 82.0 | NumAromaticRings: | 1 |
