Glycoside
GD151708
Name:
methyl 8-hydroxy-8-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C17H26O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCOC2(C)OAglycone:
COC(=O)C1=COC(O)C2C1CCOC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.38 | Num_heavy_atoms: | 28 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD60471
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C2C1CCOC2(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
