Glycoside
GD150062
Name:
{6-[(4-{1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl}butan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C26H36O12Smiles:
CC(CCC1C2(C)COC1(C)CC(=O)C2)OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
CC(O)CCC1C2(C)COC1(C)CC(=O)C2.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD55119
Formula: C13H22O3
Smiles:
CC(O)CCC1C2(C)COC1(C)CC(=O)C2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
