Glycoside
GD118000
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylateFormula:
C16H24O7Smiles:
C=C(C)C1CC=C(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1Aglycone:
C=C(C)C1CC=C(C(=O)O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.36 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | 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 |
