Glycoside
GD158373
Name:
Spinacetin 3-GentiobiosideFormula:
C29H34O18Smiles:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.57 | Num_heavy_atoms: | 47 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD05337
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
