Glycoside
GD125519
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C35H52O18Smiles:
CC(C)=CCc1cc(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.69 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 760.78 | Num_heavy_atoms: | 53 |
| TPSA: | 294.98 | 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 |
