Glycoside
GD029182
Name:
PHYLLAEMBLICIN AFormula:
C27H34O14Smiles:
C[C@@H]1CO[C@@]2(C[C@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@H](C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H](O)[C@@]1(O)C2=OAglycone:
CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD01862
Formula: C21H24O9
Smiles:
CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
