Glycoside
GD147080
Name:
methyl 1-{[3-(2,3-dihydroxybenzoyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-methyl-6-oxo-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H28O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2OC(=O)c2cccc(O)c2O)C2C(C)C(=O)CC12Aglycone:
COC(=O)C1=COC(O)C2C(C)C(=O)CC12.O=C(O)c1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.48 | Num_heavy_atoms: | 37 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD06796
Formula: C7H6O4
Smiles:
O=C(O)c1cccc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD11439
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2C(C)C(=O)CC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
