Glycoside
GD150070
Name:
5-hydroxy-7-(hydroxymethyl)-1-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C16H22O11Smiles:
O=C(O)C1=COC(OCC2OC(O)C(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
COC1OC=C(C(=O)O)C2C(O)C=C(CO)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.34 | Num_heavy_atoms: | 27 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59967
Formula: C11H14O6
Smiles:
COC1OC=C(C(=O)O)C2C(O)C=C(CO)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
