Glycoside
GD150854
Name:
4-[(3,4,5-trihydroxy-6-{[(2-methylbutanoyl)oxy]methyl}oxan-2-yl)oxy]benzoic acidFormula:
C18H24O9Smiles:
CCC(C)C(=O)OCC1OC(Oc2ccc(C(=O)O)cc2)C(O)C(O)C1OAglycone:
CCC(C)C(=O)OC.O=C(O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.38 | Num_heavy_atoms: | 27 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
