Glycoside
GD143856
Name:
LisianthiosideFormula:
C32H44O18Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCCC3C(=COC(OC4OC(CO)C(O)C(O)C4O)C3C=C)C(=O)OCCC21Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC3C(=COC(O)C3C=C)C(=O)OCCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 716.69 | Num_heavy_atoms: | 50 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD57838
Formula: C20H24O8
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC3C(=COC(O)C3C=C)C(=O)OCCC21| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
