Glycoside
GD048301
Name:
NoneFormula:
C14H18O6N2Smiles:
O=C(C(=O)N1CCc2ncccc2C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1cnc2c(c1)CNCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 310.31 | Num_heavy_atoms: | 22 |
| TPSA: | 131.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD25861
Formula: C8H10N2
Smiles:
c1cnc2c(c1)CNCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
