Glycoside
GD117326
Name:
3,4,5-trihydroxy-6-(pyren-1-yloxy)oxane-2-carboxylic acidFormula:
C22H18O7Smiles:
O=C(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C(O)C1OAglycone:
Oc1ccc2ccc3cccc4ccc1c2c34Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 116.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD46763
Formula: C16H10O
Smiles:
Oc1ccc2ccc3cccc4ccc1c2c34| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 218.25 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 4 |
