Glycoside
GD124123
Name:
6-({3-hydroxy-5-[(2-methylbutanoyl)oxy]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-2,6-dimethylocta-2,7-dienoic acidFormula:
C26H42O13Smiles:
C=CC(C)(CCC=C(C)C(=O)O)OC1OCC(OC(=O)C(C)CC)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)O.CCC(C)C(=O)OSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 562.61 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01642
Formula: C10H16O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
