Glycoside
GD120760
Name:
1-{[4,5-dihydroxy-3-(4-hydroxybenzoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-7,7a-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C23H28O13Smiles:
CC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3OC(=O)c3ccc(O)cc3)C21OAglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21O.O=C(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.46 | Num_heavy_atoms: | 36 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD48550
Formula: C10H14O6
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.22 | Num_heavy_atoms: | 16 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
