Glycoside
GD133467
Name:
ScillirosideFormula:
C32H44O12Smiles:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12Aglycone:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)C=C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 620.69 | Num_heavy_atoms: | 44 |
| TPSA: | 196.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD51014
Formula: C26H34O7
Smiles:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)C=C12| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.55 | Num_heavy_atoms: | 33 |
| TPSA: | 117.2 | NumAromaticRings: | 1 |
