Glycoside
GD087909
Name:
NoneFormula:
C20H28O9N2Smiles:
O=C(C[C@H]1OC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC[C@H]21)NCc1ccco1Aglycone:
O=C(CC1OCC2CNCCC21)NCc1ccco1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 169.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD38537
Formula: C14H20O3N2
Smiles:
O=C(CC1OCC2CNCCC21)NCc1ccco1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 63.5 | NumAromaticRings: | 1 |
