Glycoside
GD127403
Name:
Aeginetic Acid 5-O-Beta-D-QuinovosideFormula:
C21H34O8Smiles:
CC(C=CC1(O)C(C)(C)CCCC1(C)OC1OC(C)C(O)C(O)C1O)=CC(=O)OAglycone:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CC(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.5 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD14104
Formula: C15H24O4
Smiles:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CC(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
