Glycoside
GD118746
Name:
3,6,10-trimethyl-7-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-2-oneFormula:
C21H32O8Smiles:
CC1=CCC(OC2C(CO)OC(O)C(O)C2O)C(C)=CCC2C(C1)OC(=O)C2CAglycone:
CC1=CCC(O)C(C)=CCC2C(C1)OC(=O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47508
Formula: C15H22O3
Smiles:
CC1=CCC(O)C(C)=CCC2C(C1)OC(=O)C2C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
