Glycoside
GD126579
Name:
Patrinoside-Aglycone-11-O-[4''-O-Acetyl-Alpha-L-Rhamnopyranosyl-(1-2)-Bet+Formula:
C29H44O16Smiles:
CC(=O)OC1C(C)OC(OC2C(=O)C(O)C(CO)OC2OCC2=COC(OC(=O)CC(C)C)C3C2CC(O)C3CO)C(O)C1OAglycone:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(=O)C2O)C2CC(O)C(CO)C12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 648.66 | Num_heavy_atoms: | 45 |
| TPSA: | 237.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD51230
Formula: C21H32O11
Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(=O)C2O)C2CC(O)C(CO)C12| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
