Glycoside
GD136227
Name:
3,10-dimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-oneFormula:
C21H32O8Smiles:
CC1=CC2OC(=O)C(C)C2CCC(COC2OC(CO)C(O)C(O)C2O)=CCC1Aglycone:
CC1=CC2OC(=O)C(C)C2CCC(CO)=CCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55058
Formula: C15H22O3
Smiles:
CC1=CC2OC(=O)C(C)C2CCC(CO)=CCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
