Glycoside
GD110439
Name:
4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-{[(3-phenylprop-2-enoyl)oxy]methyl}oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C32H32O12Smiles:
CC(=O)CCc1ccc(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1Aglycone:
CC(=O)CCc1ccc(O)cc1.COC(=O)C=Cc1ccccc1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 608.6 | Num_heavy_atoms: | 44 |
| TPSA: | 189.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD06762
Formula: C10H12O2
Smiles:
CC(=O)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
