Glycoside
GD095949
Name:
{3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C22H28O11Smiles:
C[C@H](CO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(O)COC(=O)C1Aglycone:
CC(CO)C1(O)COC(=O)C1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.46 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | 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 |
AD40841
Formula: C7H12O4
Smiles:
CC(CO)C1(O)COC(=O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.17 | Num_heavy_atoms: | 11 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
