Glycoside
GD127142
Name:
Eryciboside EFormula:
C29H32O16Smiles:
COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4cc5oc(=O)ccc5cc4OC)OC(CO)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc2ccc(=O)oc2cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
