Glycoside
GD116894
Name:
{3,4,5-trihydroxy-6-[(2,3,4,5-tetrahydroxyhexyl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C21H30O13Smiles:
CC(O)C(O)C(O)C(O)COC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC(O)C(O)C(O)C(O)COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 226.83 | 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 |
