Glycoside
GD131932
Name:
1-({4,5-dihydroxy-3-[(8-hydroxy-2,6-dimethylocta-2,6-dienoyl)oxy]-6-(hydroxymethyl)oxan-2-yl}oxy)-7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C26H38O12Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C(OC2OC=C(C(=O)O)C3CCC(C)(O)C23)OC(CO)C(O)C1OAglycone:
CC(=CCO)CCC=C(C)C(=O)O.CC1(O)CCC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD10227
Formula: C10H14O5
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | 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 |
