Glycoside
GD157383
Name:
(10-methoxy-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undec-5-en-6-yl)methyl acetateFormula:
C19H26O12Smiles:
COC1OC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC3OC(=O)C1C32Aglycone:
COC1OC(O)C2C(COC(C)=O)=CC3OC(=O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD62225
Formula: C13H16O7
Smiles:
COC1OC(O)C2C(COC(C)=O)=CC3OC(=O)C1C32| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
