Glycoside
GD148618
Name:
Scillascilloside E2Formula:
C57H92O28Smiles:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C5O)C(O)C(O)C3O)C(CO)(CO)C2CC4)O1Aglycone:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1Sugarmoiety:
OCC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 10 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | -5.03 | Num_rotatable_bonds: | 18 |
| MolWt: | 1225.34 | Num_heavy_atoms: | 85 |
| TPSA: | 442.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD47424
Formula: C29H46O5
Smiles:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD08380
OCC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O