Glycoside
GD122518
Name:
methyl 6-[(2,6-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,7-dienoyl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C33H50O17Smiles:
C=CC(C)(CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C1C)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 718.75 | Num_heavy_atoms: | 50 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD45928
Formula: C21H30O7
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
