Glycoside
GD142872
Name:
Periclymenosidic AcidFormula:
C32H42O18Smiles:
COc1cc(C=CC(=O)OC2CC3C(C(=O)O)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CC(=O)OC2CC3C(C(=O)O)=COC(O)C3C2C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 714.67 | Num_heavy_atoms: | 50 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD11220
Formula: C20H22O8
Smiles:
COc1cc(C=CC(=O)OC2CC3C(C(=O)O)=COC(O)C3C2C)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
