Glycoside
GD116861
Name:
{3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C25H28O11Smiles:
CC(=O)CCc1ccc(OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)c(O)c1Aglycone:
CC(=O)CCc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.49 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
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 |
AD46493
Formula: C10H12O3
Smiles:
CC(=O)CCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
