Glycoside
GD032020
Name:
NoneFormula:
C18H22O7N2Smiles:
O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(=O)CCc1ncc(-c2ccccc2)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 145.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD20572
Formula: C12H12O2N2
Smiles:
NC(=O)CCc1ncc(-c2ccccc2)o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 69.12 | NumAromaticRings: | 2 |
