Glycoside
GD085913
Name:
NoneFormula:
C20H20O9Smiles:
COc1cccc(OC)c1C(=O)O[C@@H](C(=O)OCc1ccccc1)[C@@H](O)C(=O)OAglycone:
COc1cccc(OC)c1C=O.Cc1ccccc1Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 404.37 | Num_heavy_atoms: | 29 |
| TPSA: | 128.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD38243
Formula: C9H10O3
Smiles:
COc1cccc(OC)c1C=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
