Glycoside
GD132521
Name:
methyl 6-hydroxy-8-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C17H26O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)OC(O)CC12Aglycone:
COC(=O)C1=COC(O)C2C(CO)OC(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.38 | Num_heavy_atoms: | 29 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53661
Formula: C11H16O7
Smiles:
COC(=O)C1=COC(O)C2C(CO)OC(O)CC12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.24 | Num_heavy_atoms: | 18 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
