Glycoside
GD114678
Name:
methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C24H34O8Smiles:
COC(=O)c1cc(CC=C(C)C)c(OC2OC(CO)C(O)C(O)C2O)c(CC=C(C)C)c1Aglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.53 | Num_heavy_atoms: | 32 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD45207
Formula: C18H24O3
Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.39 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
