Glycoside
GD078010
Name:
NoneFormula:
C18H25O5N5Smiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N=C3CCCC3)ncnc21Aglycone:
C1=Nc2c(ncnc2N=C2CCCC2)[N]1.COCCOSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.43 | Num_heavy_atoms: | 28 |
| 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 |
AD29850
Formula: C10H10N5
Smiles:
C1=Nc2c(ncnc2N=C2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.22 | Num_heavy_atoms: | 15 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
