Glycoside
GD036528
Name:
NoneFormula:
C22H32O7N2Smiles:
CCn1nc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(Cc2ccc(OC(C)C)cc2)c1CAglycone:
CCn1nc(O)c(Cc2ccc(OC(C)C)cc2)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.51 | Num_heavy_atoms: | 31 |
| TPSA: | 126.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD23026
Formula: C16H22O2N2
Smiles:
CCn1nc(O)c(Cc2ccc(OC(C)C)cc2)c1C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.36 | Num_heavy_atoms: | 20 |
| TPSA: | 47.28 | NumAromaticRings: | 2 |
