Glycoside
GD005592
Name:
APIGENOSYLIDE CFormula:
C37H44O14Smiles:
CCCCCCCCCC[C@@H]1c2c(cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4)oc23)OO[C@]12C(=O)O[C@H](C)C2=OAglycone:
CCCCCCCCCCC1c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OOC12C(=O)OC(C)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 712.75 | Num_heavy_atoms: | 51 |
| TPSA: | 211.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD04731
Formula: C31H34O9
Smiles:
CCCCCCCCCCC1c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OOC12C(=O)OC(C)C2=O| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.6 | Num_heavy_atoms: | 40 |
| TPSA: | 132.5 | NumAromaticRings: | 3 |
