Glycoside
GD114190
Name:
{3,4,5-trihydroxy-6-[(4-methyl-5-oxooxolan-3-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C20H24O10Smiles:
CC1C(=O)OCC1OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
CC1C(=O)OCC1O.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.4 | Num_heavy_atoms: | 30 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD44887
Formula: C5H8O3
Smiles:
CC1C(=O)OCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
