Glycoside
GD035369
Name:
{3,4,5-trihydroxy-6-[(4-hydroxy-2-methylbut-2-en-1-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C20H26O10Smiles:
CC(=CCO)CO[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=CCO)CO.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 166.14 | 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 |
AD15409
Formula: C5H10O2
Smiles:
CC(=CCO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
