Glycoside
GD140615
Name:
NoneFormula:
C65H110O20SSmiles:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(CC(O)CC(=O)CC(O)CCC(O)C1CC(O)C(OS(=O)(=O)O)C(CC(C)O)O1)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C1CC(O)C(OS(=O)(=O)O)C(CC(C)O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.82 |
| AlogP: | 7.62 | Num_rotatable_bonds: | 49 |
| MolWt: | 1243.64 | Num_heavy_atoms: | 86 |
| TPSA: | 332.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD54112
Formula: C59H100O15S
Smiles:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C1CC(O)C(OS(=O)(=O)O)C(CC(C)O)O1| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 9.8 | Num_rotatable_bonds: | 46 |
| MolWt: | 1081.5 | Num_heavy_atoms: | 75 |
| TPSA: | 253.41 | NumAromaticRings: | 0 |
