Glycoside
GD045658
Name:
NoneFormula:
C12H18O4N2Smiles:
OC[C@@H]1O[C@H](n2cnc3c2CCCC3)[C@H](O)[C@@H]1OAglycone:
C1=NC2=C(CCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.29 | Num_heavy_atoms: | 18 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD25281
Formula: C7H9N2
Smiles:
C1=NC2=C(CCCC2)[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.16 | Num_heavy_atoms: | 9 |
| TPSA: | 26.46 | NumAromaticRings: | 0 |
