Glycoside
GD021324
Name:
NoneFormula:
C23H28O8N2Smiles:
O=C(NCC(CNC(=O)c1ccccc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
O=C(NCC(O)CNC(=O)c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 460.48 | Num_heavy_atoms: | 33 |
| TPSA: | 157.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD14599
Formula: C17H18O3N2
Smiles:
O=C(NCC(O)CNC(=O)c1ccccc1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.34 | Num_heavy_atoms: | 22 |
| TPSA: | 78.43 | NumAromaticRings: | 2 |
