Glycoside
GD118252
Name:
NoneFormula:
C31H52O13SSmiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O)COC1OC(COS(=O)(=O)O)C(O)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O)CO.COS(=O)(=O)OSugarmoiety:
OC1OC(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
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD47265
Formula: C26H44O6
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.63 | Num_heavy_atoms: | 32 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
