Glycoside
GD118013
Name:
NoneFormula:
C33H52O12SSmiles:
CC(C)CC1OC1C(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3=CCC21CAglycone:
CC(C)CC1OC1C(C)C1CCC2C3CC(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: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.83 | Num_heavy_atoms: | 46 |
| TPSA: | 192.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD47126
Formula: C27H44O6S
Smiles:
CC(C)CC1OC1C(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3=CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.71 | Num_heavy_atoms: | 34 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
