Glycoside
GD018668
Name:
NoneFormula:
C18H18O11Smiles:
CC(=O)O[C@@H]1[C@H](C(=O)O)O[C@H](C2=CC(=O)C=CC2=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
O=C1C=CC(=O)C=C1Sugarmoiety:
CC(=O)OC1C(O)OC(C(=O)O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.33 | Num_heavy_atoms: | 29 |
| TPSA: | 159.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD06445
Formula: C6H4O2
Smiles:
O=C1C=CC(=O)C=C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.1 | Num_heavy_atoms: | 8 |
| TPSA: | 34.14 | NumAromaticRings: | 0 |
