Glycoside
GD116128
Name:
2-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-3-yl acetateFormula:
C14H22O9Smiles:
CC(=O)OC1C(C)OC=CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1C(O)C=COC1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.32 | Num_heavy_atoms: | 23 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46065
Formula: C8H12O4
Smiles:
CC(=O)OC1C(O)C=COC1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.18 | Num_heavy_atoms: | 12 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
