Glycoside
GD126318
Name:
NoneFormula:
C32H41O20Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1OC(COC3OC(C[OH2+])C(O)C(O)C3O)C(O)C(O)C1OCC1OC(O)C(O)C1O)=C2Aglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(COC2C(O)OC(COC3OC(C[OH2+])C(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 745.66 | Num_heavy_atoms: | 52 |
| TPSA: | 330.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
