Glycoside
GD121724
Name:
2-({4-formyl-4a-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C26H38O11Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C(OC2OC=C(C=O)C3(O)CCC(C)C23)OC(CO)C(O)C1OAglycone:
CC(=CCO)CCC=C(C)C(=O)O.CC1CCC2(O)C(C=O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 526.58 | Num_heavy_atoms: | 37 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD18785
Formula: C10H14O4
Smiles:
CC1CCC2(O)C(C=O)=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD21716
Formula: C10H16O3
Smiles:
CC(=CCO)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
