Glycoside
GD077641
Name:
NoneFormula:
C17H25O5N5Smiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC=C(C)C)ncnc21Aglycone:
CC(C)=CNc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 379.42 | Num_heavy_atoms: | 27 |
| TPSA: | 123.78 | 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 |
AD33479
Formula: C9H10N5
Smiles:
CC(C)=CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.21 | Num_heavy_atoms: | 14 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
