Glycoside
GD139459
Name:
methyl 4a-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C23H34O16Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(CO)=CCC12OAglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | -5.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.51 | Num_heavy_atoms: | 39 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD45331
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
