Glycoside
GD128215
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,5-bis(3-hydroxy-3-methylbut-1-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C35H52O20Smiles:
CC(C)(O)C=Cc1cc(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc(C=CC(C)(C)O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1cc(C=CC(C)(C)O)c(O)c(C=CC(C)(C)O)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.69 |
| AlogP: | -4.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 792.78 | Num_heavy_atoms: | 55 |
| TPSA: | 335.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD51941
Formula: C18H24O5
Smiles:
COC(=O)c1cc(C=CC(C)(C)O)c(O)c(C=CC(C)(C)O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.39 | Num_heavy_atoms: | 23 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
