Glycoside
GD158213
Name:
3-{3-hydroxy-4-[(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)oxy]phenyl}prop-2-enoic acidFormula:
C20H26O10Smiles:
CC(=CCOc1ccc(C=CC(=O)O)cc1O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCOc1ccc(C=CC(=O)O)cc1O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD62475
Formula: C14H16O5
Smiles:
CC(=CCOc1ccc(C=CC(=O)O)cc1O)CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
