Glycoside
GD070632
Name:
NoneFormula:
C16H23O5N5Smiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N=C(C)C)ncnc21Aglycone:
CC(C)=Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 365.39 | Num_heavy_atoms: | 26 |
| TPSA: | 124.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD27131
Formula: C8H8N5
Smiles:
CC(C)=Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.19 | Num_heavy_atoms: | 13 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
