Glycoside
GD052252
Name:
NoneFormula:
C16H21O6NSmiles:
C=CC[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccc1Aglycone:
C=CCC(N)c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 323.35 | Num_heavy_atoms: | 23 |
| TPSA: | 127.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD27121
Formula: C10H13N
Smiles:
C=CCC(N)c1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.22 | Num_heavy_atoms: | 11 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
