Glycoside
GD049442
Name:
NoneFormula:
C12H18O7N2Smiles:
O=C(c1nnc(C2CCOCC2)o1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1nnc(C2CCOCC2)o1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 302.28 | Num_heavy_atoms: | 21 |
| TPSA: | 146.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD26174
Formula: C7H10O2N2
Smiles:
c1nnc(C2CCOCC2)o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.17 | Num_heavy_atoms: | 11 |
| TPSA: | 48.15 | NumAromaticRings: | 1 |
