Glycoside
GD128243
Name:
methyl 5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C24H36O10Smiles:
COC(=O)c1cc(CC=C(C)CCC(O)C(C)(C)O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1cc(CC=C(C)CCC(O)C(C)(C)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 484.54 | Num_heavy_atoms: | 34 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD51948
Formula: C18H26O5
Smiles:
COC(=O)c1cc(CC=C(C)CCC(O)C(C)(C)O)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 322.4 | Num_heavy_atoms: | 23 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
