Glycoside
GD152769
Name:
2-hydroxy-2-[3-hydroxy-2,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]acetic acidFormula:
C24H34O10Smiles:
CC(C)=CCc1cc(C(O)C(=O)O)c(CC=C(C)C)c(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(O)C(=O)O)c(CC=C(C)C)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.53 | Num_heavy_atoms: | 34 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD60804
Formula: C18H24O5
Smiles:
CC(C)=CCc1cc(C(O)C(=O)O)c(CC=C(C)C)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 320.39 | Num_heavy_atoms: | 23 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
