Glycoside
GD127985
Name:
EmpetrinFormula:
C21H23O12Smiles:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(OC1OC(C[OH2+])C(O)C(O)C1O)=C2Aglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 467.4 | Num_heavy_atoms: | 33 |
| TPSA: | 212.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD45104
Formula: C15H12O7
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
