Glycoside
GD145052
Name:
1-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy}-6-(3-hydroxybenzoyloxy)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C24H30O11Smiles:
CC1C(O)C(CO)OC(OC2OC=C(C(=O)O)C3CC(OC(=O)c4cccc(O)c4)C(C)C23)C1OAglycone:
CC1C(OC(=O)c2cccc(O)c2)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
CC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.49 | Num_heavy_atoms: | 35 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD46697
Formula: C17H18O7
Smiles:
CC1C(OC(=O)c2cccc(O)c2)CC2C(C(=O)O)=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
