Glycoside
GD154740
Name:
methyl 5,5-dimethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,12-trioxatricyclo[7.4.0.0²,â·]tridec-10-ene-10-carboxylateFormula:
C20H30O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC1OC(C)(C)OCC12Aglycone:
COC(=O)C1=COC(O)C2C1CC1OC(C)(C)OCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.45 | Num_heavy_atoms: | 31 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD61432
Formula: C14H20O6
Smiles:
COC(=O)C1=COC(O)C2C1CC1OC(C)(C)OCC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.31 | Num_heavy_atoms: | 20 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
