Glycoside
GD132637
Name:
AnacheilosideFormula:
C28H34O16Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD17389
Formula: C16H14O7
Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
