Glycoside
GD133702
Name:
3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[(8-methoxy-3,7-dimethyl-8-oxoocta-1,6-dien-3-yl)oxy]oxan-2-yl}methoxy)pentanoic acidFormula:
C23H36O12Smiles:
C=CC(C)(CCC=C(C)C(=O)OC)OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC.COC(=O)CC(C)(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 504.53 | Num_heavy_atoms: | 35 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD16362
Formula: C11H18O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
