Glycoside
GD064551
Name:
NoneFormula:
C17H22O6N2Smiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)N2c1ccccc1Aglycone:
O=CN1CC2CC(C1)N2c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 113.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD31067
Formula: C12H14ON2
Smiles:
O=CN1CC2CC(C1)N2c1ccccc1| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.26 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
