Glycoside
GD085117
Name:
Crepidiaside BFormula:
C21H28O9Smiles:
CC1=C2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2CC1Aglycone:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD38080
Formula: C15H18O4
Smiles:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.31 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
