Glycoside
GD129533
Name:
UhdenosideFormula:
C24H30O13Smiles:
O=C(CC1C(C(=O)O)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCO)OCCc1ccc(O)cc1Aglycone:
O=C(CC1C(C(=O)O)=COC(O)C1=CCO)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD52468
Formula: C18H20O8
Smiles:
O=C(CC1C(C(=O)O)=COC(O)C1=CCO)OCCc1ccc(O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
