Glycoside
GD001914
Name:
PHYLLAEMBLICIN BFormula:
C33H44O19Smiles:
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@@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(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -4.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 744.7 | Num_heavy_atoms: | 52 |
| TPSA: | 297.89 | 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 |
