Glycoside
GD115113
Name:
{5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,4a,6-trimethyl-6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-decahydronaphthalen-1-yl}methyl acetateFormula:
C38H58O14Smiles:
CC(=O)OCC=C(C)CCC1C(C)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CCC2C(C)(COC(C)=O)CCCC21CAglycone:
CC(=O)OCC=C(C)CCC1C(C)(O)CCC2C(C)(COC(C)=O)CCCC12C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.79 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 14 |
| MolWt: | 738.87 | Num_heavy_atoms: | 52 |
| TPSA: | 176.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45479
Formula: C24H40O5
Smiles:
CC(=O)OCC=C(C)CCC1C(C)(O)CCC2C(C)(COC(C)=O)CCCC12C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.58 | Num_heavy_atoms: | 29 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
