Glycoside
GD033563
Name:
PARISHINFormula:
C44H54O24Smiles:
C[C@@H]1O[C@H](Oc2ccc(COC(=O)CC(O)(CC(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)C(=O)Oc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)Oc1ccc(O)cc1)OCc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 18 |
| MolWt: | 966.89 | Num_heavy_atoms: | 68 |
| TPSA: | 377.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD21410
Formula: C26H24O10
Smiles:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)Oc1ccc(O)cc1)OCc1ccc(O)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 496.47 | Num_heavy_atoms: | 36 |
| TPSA: | 159.82 | NumAromaticRings: | 3 |
