Glycoside
GD139346
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[2-methyl-5-(propan-2-yl)-2,5-dihydrofuran-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H34O12Smiles:
CC(C)C1C=CC(C)(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)O1Aglycone:
CC(C)C1C=CC(C)(O)O1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.48 | Num_heavy_atoms: | 32 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD56189
Formula: C8H14O2
Smiles:
CC(C)C1C=CC(C)(O)O1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.2 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
