Glycoside
GD114228
Name:
NoneFormula:
C45H76O19SSmiles:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(CO)OC(OC4CC5C(=CCC6(C)C(C(C)CCC(O)C(C)C)CCC56)C5(C)CCC(OS(=O)(=O)O)CC45)C3O)OCC(O)C2O)C1OAglycone:
CC(C)C(O)CCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OCC(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 15 |
| MolWt: | 953.15 | Num_heavy_atoms: | 65 |
| TPSA: | 290.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD44916
Formula: C27H46O6S
Smiles:
CC(C)C(O)CCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.73 | Num_heavy_atoms: | 34 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
