Glycoside
GD154003
Name:
8-O-Acetyl-6-O-Trans-P-CoumaroylshanzhisideFormula:
C27H32O14Smiles:
CC(=O)OC1(C)CC(OC(=O)C=Cc2ccc(O)cc2)C2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC(=O)OC1(C)CC(OC(=O)C=Cc2ccc(O)cc2)C2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD61206
Formula: C21H22O9
Smiles:
CC(=O)OC1(C)CC(OC(=O)C=Cc2ccc(O)cc2)C2C(C(=O)O)=COC(O)C21| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
