Glycoside
GD124240
Name:
Piperchabaoside BFormula:
C27H38O15Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(OCC=Cc2ccccc2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.OCC=Cc1ccccc1Sugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 13 |
| MolWt: | 602.59 | Num_heavy_atoms: | 42 |
| TPSA: | 242.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD05536
Formula: C9H10O
Smiles:
OCC=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
