Glycoside
GD029764
Name:
(3,4,5-trihydroxy-6-{2-[5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]ethoxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C25H30O10Smiles:
CC(C)=C[C@@H]1CC(=CCO[C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1Aglycone:
CC(C)=CC1CC(=CCO)C(=O)O1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.51 | Num_heavy_atoms: | 35 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD19324
Formula: C10H14O3
Smiles:
CC(C)=CC1CC(=CCO)C(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
