Glycoside
GD121610
Name:
2,3,4,5,7-pentahydroxy-6-oxoheptyl 3,4,5-trihydroxybenzoateFormula:
C14H18O11Smiles:
O=C(OCC(O)C(O)C(O)C(O)C(=O)CO)c1cc(O)c(O)c(O)c1Aglycone:
O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
O=C(CO)C(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 362.29 | Num_heavy_atoms: | 25 |
| TPSA: | 205.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
