Glycoside
GD139724
Name:
10-({[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,6-dimethyl-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-oneFormula:
C26H40O12Smiles:
CC1=CCCC(COC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)=CC2OC(=O)C(C)C2CC1Aglycone:
CC1=CCCC(CO)=CC2OC(=O)C(C)C2CC1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD02274
Formula: C15H22O3
Smiles:
CC1=CCCC(CO)=CC2OC(=O)C(C)C2CC1| 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 |
