Glycoside
GD131550
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylateFormula:
C21H32O11Smiles:
C=C(C)C1CC=C(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1Aglycone:
C=C(C)C1CC=C(C(=O)O)CC1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD47120
Formula: C10H14O2
Smiles:
C=C(C)C1CC=C(C(=O)O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
