Glycoside
GD129940
Name:
Sch 64879Formula:
C51H94O12Smiles:
CC(=CCCC(C)=CCOC1OC(CO)C(O)C(O)C1O)CCC=C(C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC1OC1(C)CAglycone:
CC(=CCO)CCC=C(C)CCC=C(C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC1OC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 7.77 | Num_rotatable_bonds: | 33 |
| MolWt: | 899.3 | Num_heavy_atoms: | 63 |
| TPSA: | 213.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD52644
Formula: C45H84O7
Smiles:
CC(=CCO)CCC=C(C)CCC=C(C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC1OC1(C)C| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 9.94 | Num_rotatable_bonds: | 30 |
| MolWt: | 737.16 | Num_heavy_atoms: | 52 |
| TPSA: | 133.91 | NumAromaticRings: | 0 |
