Glycoside
GD093662
Name:
NoneFormula:
C16H18O10N5FSmiles:
CC(=O)O[C@@H](O)[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@](O)(OC(C)=O)[C@@]1(O)OC(C)=OAglycone:
CC(=O)OCO.Nc1nc(F)nc2c1N=C[N]2Sugarmoiety:
CC(=O)OC1(O)C(O)OC(O)C1(O)OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.34 | Num_heavy_atoms: | 32 |
| TPSA: | 218.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00084
Formula: C5H3N5F
Smiles:
Nc1nc(F)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.11 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD04948
Formula: C3H6O3
Smiles:
CC(=O)OCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
