Glycoside
GD116500
Name:
1-[6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methyl 5-methyl 3-hydroxy-3-methylpentanedioateFormula:
C20H28O10Smiles:
COC(=O)CC(C)(O)CC(=O)OCC1OC(OCc2ccccc2)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)OC.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 428.43 | Num_heavy_atoms: | 30 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD15282
Formula: C8H14O5
Smiles:
COC(=O)CC(C)(O)CC(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 190.19 | Num_heavy_atoms: | 13 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
