Glycoside
GD129345
Name:
3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl]oxy}-2-methyl-4H-pyran-4-oneFormula:
C18H26O13Smiles:
Cc1occc(=O)c1OC1OC(CO)C(O)C(OCC2OC(O)C(O)C(O)C2O)C1OAglycone:
Cc1occc(=O)c1OSugarmoiety:
OCC1OC(O)C(O)C(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.39 | Num_heavy_atoms: | 31 |
| TPSA: | 208.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD12565
Formula: C6H6O3
Smiles:
Cc1occc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
