Glycoside
GD018085
Name:
4'-HYDROXYPHYLLAEMBLICIN BFormula:
C33H44O20Smiles:
C[C@@H]1CO[C@@]2(C[C@H]1OC(=O)c1ccc(O)cc1)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)c1ccc(O)cc1)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: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | -4.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 760.7 | Num_heavy_atoms: | 53 |
| TPSA: | 318.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD12816
Formula: C21H24O10
Smiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1CC(C(=O)O)CC(O)C1(O)C2=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
