Glycoside
GD150210
Name:
2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 3-methylpent-2-enoateFormula:
C21H30O9Smiles:
CCC(C)=CC(=O)OC1C(O)C(CO)OC(OCCCc2ccc(O)c(O)c2)C1OAglycone:
CCC(C)=CC(=O)O.OCCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD02169
Formula: C6H10O2
Smiles:
CCC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD19458
Formula: C9H12O3
Smiles:
OCCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
