Glycoside
GD141462
Name:
NoneFormula:
C33H54O12SSmiles:
CC(C)CCCC(C)C1C(O)CC2C3CC(OS(=O)(=O)O)C4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3=CCC21CAglycone:
CC(C)CCCC(C)C1C(O)CC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3=CCC21CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 674.85 | Num_heavy_atoms: | 46 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD56987
Formula: C27H46O6S
Smiles:
CC(C)CCCC(C)C1C(O)CC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3=CCC21C| 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 |
