Glycoside
GD145449
Name:
methyl 4a-hydroxy-5-[(8-hydroxy-2,6-dimethylocta-2,6-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:
C27H40O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(OC(=O)C(C)=CCCC(C)=CCO)C12OAglycone:
COC(=O)C1=COC(O)C2C(C)CC(OC(=O)C(C)=CCCC(C)=CCO)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 572.6 | Num_heavy_atoms: | 40 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD58385
Formula: C21H30O8
Smiles:
COC(=O)C1=COC(O)C2C(C)CC(OC(=O)C(C)=CCCC(C)=CCO)C12O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
