Glycoside
GD154322
Name:
NoneFormula:
C62H104O22SSmiles:
C=CCC(=C)CC1CC(O)C(CC=CCC2=CC(CCC=CCCCCCCCC(C)CCC3OC3CCCC(CC(O)CC(=O)CC(O)CCC(O)C3CC(O)C(OS(=O)(=O)O)C(CC(C)O)O3)OC3OC(CO)C(O)C(O)C3O)OOC2)O1Aglycone:
C=CCC(=C)CC1CC(O)C(CC=CCC2=CC(CCC=CCCCCCCCC(C)CCC3OC3CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C3CC(O)C(OS(=O)(=O)O)C(CC(C)O)O3)OOC2)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.82 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 43 |
| MolWt: | 1233.56 | Num_heavy_atoms: | 85 |
| TPSA: | 350.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD61315
Formula: C56H94O17S
Smiles:
C=CCC(=C)CC1CC(O)C(CC=CCC2=CC(CCC=CCCCCCCCC(C)CCC3OC3CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C3CC(O)C(OS(=O)(=O)O)C(CC(C)O)O3)OOC2)O1| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | 7.48 | Num_rotatable_bonds: | 40 |
| MolWt: | 1071.42 | Num_heavy_atoms: | 74 |
| TPSA: | 271.73 | NumAromaticRings: | 0 |
