Glycoside
GD150268
Name:
4,4,7,8-tetramethyl-11-oxotricyclo[5.4.0.0²,â¹]undecan-10-yl 6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C27H36O10Smiles:
CC1C2C(OC(=O)C3OC(Oc4cc(O)cc(O)c4)C(O)C(O)C3O)C(=O)C3C2CC(C)(C)CCC13CAglycone:
CC1C2C(OC=O)C(=O)C3C2CC(C)(C)CCC13C.Oc1cc(O)cc(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD09371
Formula: C6H6O3
Smiles:
Oc1cc(O)cc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD60041
Formula: C16H24O3
Smiles:
CC1C2C(OC=O)C(=O)C3C2CC(C)(C)CCC13C| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.36 | Num_heavy_atoms: | 19 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
