Glycoside
GD136592
Name:
NoneFormula:
C31H52O11SSmiles:
CC(C=CC(C)C1CC(OS(=O)(=O)O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)COC1OCC(O)C(O)C1OAglycone:
CC(C=CC(C)C1CC(OS(=O)(=O)O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)COSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.81 | Num_heavy_atoms: | 43 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55222
Formula: C26H44O7S
Smiles:
CC(C=CC(C)C1CC(OS(=O)(=O)O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)CO| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.7 | Num_heavy_atoms: | 34 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
