Glycoside
GD115679
Name:
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl benzoateFormula:
C23H28O11Smiles:
CC1C(OC(=O)c2ccccc2)CC2(O)C(C=O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1C(OC(=O)c2ccccc2)CC2(O)C(C=O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD45806
Formula: C17H18O6
Smiles:
CC1C(OC(=O)c2ccccc2)CC2(O)C(C=O)=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
