Glycoside
GD111704
Name:
NoneFormula:
C31H30O12Smiles:
COc1ccccc1C(=O)OC[C@@H]1O[C@H](OC(=O)c2ccccc2OC)[C@H](OC(C)=O)[C@@H]1OC(=O)c1ccccc1OCAglycone:
COC(=O)c1ccccc1OC.COc1ccccc1C(=O)O.COc1ccccc1C(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 594.57 | Num_heavy_atoms: | 43 |
| TPSA: | 142.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD11503
Formula: C9H10O3
Smiles:
COC(=O)c1ccccc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD19342
Formula: C8H8O3
Smiles:
COc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
