Glycoside
GD151374
Name:
{3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C23H30O12Smiles:
COc1cc(C=CC(=O)OCC2OC(OCC(C)C3(O)COC(=O)C3)C(O)C(O)C2O)ccc1OAglycone:
CC(CO)C1(O)COC(=O)C1.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 498.48 | Num_heavy_atoms: | 35 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | 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 |
