Glycoside
GD152915
Name:
3-hydroxy-3,6,10-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-oneFormula:
C21H32O9Smiles:
CC1=CC(OC2OC(CO)C(O)C(O)C2O)CC(C)=CC2OC(=O)C(C)(O)C2CC1Aglycone:
CC1=CC(O)CC(C)=CC2OC(=O)C(C)(O)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60843
Formula: C15H22O4
Smiles:
CC1=CC(O)CC(C)=CC2OC(=O)C(C)(O)C2CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
