Glycoside
GD139729
Name:
10-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-4,9-dimethyl-10-oxodeca-6,8-dienoic acidFormula:
C24H38O15Smiles:
CC(=CC=CCC(C)C(O)CC(=O)O)C(=O)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)C(C)=CC=CCC(C)C(O)CC(=O)OSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 13 |
| MolWt: | 566.55 | Num_heavy_atoms: | 39 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD56344
Formula: C13H20O5
Smiles:
COC(=O)C(C)=CC=CCC(C)C(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 256.3 | Num_heavy_atoms: | 18 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
