Glycoside
GD000047
Name:
NoneFormula:
C18H20O10N2Smiles:
CCC1(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)C(=O)NC(=O)NC1=OAglycone:
CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.36 | Num_heavy_atoms: | 30 |
| TPSA: | 191.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD00067
Formula: C12H12O4N2
Smiles:
CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.24 | Num_heavy_atoms: | 18 |
| TPSA: | 95.5 | NumAromaticRings: | 1 |
