Glycoside
GD146000
Name:
4a,5-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl benzoateFormula:
C22H28O11Smiles:
CC1(OC(=O)c2ccccc2)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1(OC(=O)c2ccccc2)CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.46 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD58573
Formula: C16H18O6
Smiles:
CC1(OC(=O)c2ccccc2)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.31 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
