Glycoside
GD148496
Name:
NoneFormula:
C55H90O27SSmiles:
CCC1OC(OC2C(C)OC(OC3C(O)C(CO)OC(OC4CC5C(=CCC6(C)C(C(C)CC(C)=O)CCC56)C5(C)CCC(OS(=O)(=O)O)CC45)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
CCC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.95 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 17 |
| MolWt: | 1215.37 | Num_heavy_atoms: | 83 |
| TPSA: | 415.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD51950
Formula: C24H38O6S
Smiles:
CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.63 | Num_heavy_atoms: | 31 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
Sugarmoiety
SD09560
CCC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O