Glycoside
GD149136
Name:
NoneFormula:
C31H52O13SSmiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)C(O)C12O)COC1OC(CO)C(O)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)C(O)C12O)COSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.81 | Num_heavy_atoms: | 45 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD59638
Formula: C26H44O9S
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)C(O)C12O)CO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.7 | Num_heavy_atoms: | 36 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
