Glycoside
GD154972
Name:
Barbatoside AFormula:
C28H40O18Smiles:
COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)OC2OC(CO)C(O)C(O)C2O)cc(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CCOC(=O)CC(C)(O)CC(=O)O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 14 |
| MolWt: | 664.61 | Num_heavy_atoms: | 46 |
| TPSA: | 291.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD54370
Formula: C16H20O8
Smiles:
COc1cc(C=CCOC(=O)CC(C)(O)CC(=O)O)cc(O)c1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 340.33 | Num_heavy_atoms: | 24 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
