Glycoside
GD000359
Name:
Ajugaside AFormula:
C32H50O14Smiles:
C[C@H](CO)c1cc2c(c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)CCC[C@](C)(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1CC2Aglycone:
CC(CO)c1cc2c(c(O)c1O)C1(C)CCCC(C)(CO)C1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 658.74 | Num_heavy_atoms: | 46 |
| TPSA: | 239.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD00406
Formula: C20H30O4
Smiles:
CC(CO)c1cc2c(c(O)c1O)C1(C)CCCC(C)(CO)C1CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
