Glycoside
GD129965
Name:
6-Beta-Acetoxy Scillarenin 3-O-Beta-D-GlucopyranosideFormula:
C32H44O11Smiles:
CC(=O)OC1CC2C(CCC3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12Aglycone:
CC(=O)OC1CC2C(CCC3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)C=C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.69 | Num_heavy_atoms: | 43 |
| TPSA: | 176.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD52657
Formula: C26H34O6
Smiles:
CC(=O)OC1CC2C(CCC3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)C=C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
