Glycoside
GD009970
Name:
FEVICORDIN A GLUCOSIDEFormula:
C35H48O13Smiles:
CC(=O)OC(C)(C)C=CC(=O)[C@@](C)(O)C1[C@H](O)C[C@@H]2[C@@H]3CCc4c(cc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(O)c4C)[C@H]3C(=O)C[C@]12CAglycone:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2C3CCc4c(cc(O)c(O)c4C)C3C(=O)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 676.76 | Num_heavy_atoms: | 48 |
| TPSA: | 220.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD07757
Formula: C29H38O8
Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2C3CCc4c(cc(O)c(O)c4C)C3C(=O)CC21C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.62 | Num_heavy_atoms: | 37 |
| TPSA: | 141.36 | NumAromaticRings: | 1 |
