Glycoside
GD128003
Name:
4-hydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-2-en-1-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C20H26O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC=C(CO)COC1OC(CO)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OCC=C(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD51853
Formula: C14H16O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC=C(CO)CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 280.28 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
