Glycoside
GD027707
Name:
6'-OcaffeoylgoodyerosideFormula:
C19H22O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC[C@@H]1O[C@H](O[C@@H]2COC(=O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C1CC(O)CO1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.37 | Num_heavy_atoms: | 30 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD05359
Formula: C4H6O3
Smiles:
O=C1CC(O)CO1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.09 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
