Glycoside
GD114805
Name:
5-Alpha-4,5-Dihydro-Scillirosidin 3-O-Beta-D-GlucopyranosideFormula:
C32H46O12Smiles:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 622.71 | Num_heavy_atoms: | 44 |
| TPSA: | 196.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD45296
Formula: C26H36O7
Smiles:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)CC12| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 460.57 | Num_heavy_atoms: | 33 |
| TPSA: | 117.2 | NumAromaticRings: | 1 |
