Glycoside
GD115383
Name:
BuchananineFormula:
C12H15O7NSmiles:
O=C(OCC1OC(O)C(O)C(O)C1O)c1cccnc1Aglycone:
COC(=O)c1cccnc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.25 | Num_heavy_atoms: | 20 |
| TPSA: | 129.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD05813
Formula: C7H7O2N
Smiles:
COC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 39.19 | NumAromaticRings: | 1 |
