Glycoside
GD141675
Name:
10-O-Acetylpatrinoside-Aglycone-11-O-[4''-O-Acetyl-Alpha-L-Rhamnopyranosy+Formula:
C31H46O17Smiles:
CC(=O)OCC1C(O)CC2C(COC3OC(CO)C(O)C(=O)C3OC3OC(C)C(OC(C)=O)C(O)C3O)=COC(OC(=O)CC(C)C)C21Aglycone:
CC(=O)OCC1C(O)CC2C(COC3OC(CO)C(O)C(=O)C3O)=COC(OC(=O)CC(C)C)C21Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 690.69 | Num_heavy_atoms: | 48 |
| TPSA: | 243.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD44921
Formula: C23H34O12
Smiles:
CC(=O)OCC1C(O)CC2C(COC3OC(CO)C(O)C(=O)C3O)=COC(OC(=O)CC(C)C)C21| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.51 | Num_heavy_atoms: | 35 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
