Glycoside
GD152818
Name:
{3,4,5-trihydroxy-6-[2-hydroxy-5-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methyl acetateFormula:
C17H22O8Smiles:
C=CCc1ccc(O)c(OC2OC(COC(C)=O)C(O)C(O)C2O)c1Aglycone:
C=CCc1ccc(O)c(O)c1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.35 | Num_heavy_atoms: | 25 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
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 |
AD15457
Formula: C9H10O2
Smiles:
C=CCc1ccc(O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
