Glycoside
GD141916
Name:
4-(12-{[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,8,16-trimethylheptadeca-3,7,11,15-tetraen-1-yl)-2,5-dihydrofuran-2-oneFormula:
C43H68O18Smiles:
CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1)COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1)COSugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.74 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 22 |
| MolWt: | 873.0 | Num_heavy_atoms: | 61 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47949
Formula: C25H38O3
Smiles:
CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1)CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 386.58 | Num_heavy_atoms: | 28 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
