Glycoside
GD151664
Name:
Boerhaavic AcidFormula:
C22H24O11Smiles:
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)Oc1ccccc1C(CC(=O)O)O2Aglycone:
COc1cc(O)c2c(c1)OC(CC(=O)O)c1ccccc1O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD60457
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(c1)OC(CC(=O)O)c1ccccc1O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
