Glycoside
GD155709
Name:
{3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C22H28O12Smiles:
CC(COC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O)C1(O)COC(=O)C1Aglycone:
CC(CO)C1(O)COC(=O)C1.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.45 | Num_heavy_atoms: | 34 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | 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 |
