Glycoside
GD119836
Name:
3-butoxy-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C20H30O10Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OCCCC)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(OCCCC)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.45 | Num_heavy_atoms: | 30 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48072
Formula: C14H20O5
Smiles:
C=CC1C(O)OC=C2C(=O)OC(OCCCC)CC21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.31 | Num_heavy_atoms: | 19 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
