Glycoside
GD063994
Name:
NoneFormula:
C17H21O7NSmiles:
O=C1CC[C@H](C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2ccccc21Aglycone:
NC(=O)C1CCC(=O)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 351.36 | Num_heavy_atoms: | 25 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD30783
Formula: C11H11O2N
Smiles:
NC(=O)C1CCC(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 189.21 | Num_heavy_atoms: | 14 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
