Glycoside
GD003568
Name:
8-O-Cinnamoylmussaenosidic AcidFormula:
C25H30O11Smiles:
C[C@]1(OC(=O)C=Cc2ccccc2)CC[C@@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(OC(=O)C=Cc2ccccc2)CCC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03228
Formula: C19H20O6
Smiles:
CC1(OC(=O)C=Cc2ccccc2)CCC2C(C(=O)O)=COC(O)C21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
