Glycoside
GD095910
Name:
PagosideFormula:
C24H28O11Smiles:
CC1=C(C(=O)O)/C(=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1Aglycone:
CC1=C(C(=O)O)C(=CCO)C(OC(=O)C=Cc2ccc(O)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD40832
Formula: C18H18O6
Smiles:
CC1=C(C(=O)O)C(=CCO)C(OC(=O)C=Cc2ccc(O)cc2)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
