Glycoside
GD140160
Name:
3,6,10-trimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,4H,5H,8H,9H,11aH-cyclopenta[10]annulen-2-oneFormula:
C22H34O7Smiles:
CC1=CCC(OC2OC(CO)C(O)C(O)C2O)C(C)=CC2CC(=O)C(C)C2CC1Aglycone:
CC1=CCC(O)C(C)=CC2CC(=O)C(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.51 | Num_heavy_atoms: | 29 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56509
Formula: C16H24O2
Smiles:
CC1=CCC(O)C(C)=CC2CC(=O)C(C)C2CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.37 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
