Glycoside
GD071780
Name:
NoneFormula:
C18H27O7N2Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1Aglycone:
NC(=O)C1C[NH+](Cc2ccccc2)CCO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.42 | Num_heavy_atoms: | 27 |
| TPSA: | 132.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD33711
Formula: C12H17O2N2
Smiles:
NC(=O)C1C[NH+](Cc2ccccc2)CCO1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 221.28 | Num_heavy_atoms: | 16 |
| TPSA: | 56.76 | NumAromaticRings: | 1 |
