Glycoside
GD037012
Name:
NoneFormula:
C22H24O11Smiles:
C[C@H](C(=O)O)[C@@H]1Cc2c(c(O)c3ccccc3c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1Aglycone:
CC(C(=O)O)C1Cc2c(c(O)c3ccccc3c2O)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD23343
Formula: C16H14O6
Smiles:
CC(C(=O)O)C1Cc2c(c(O)c3ccccc3c2O)C(=O)O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
