Glycoside
GD128534
Name:
NoneFormula:
C35H58O13SSmiles:
CCC(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4OC)C=C3C(O)CC12O)C(C)COAglycone:
CCC(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)COSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 718.9 | Num_heavy_atoms: | 49 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD52061
Formula: C29H48O9S
Smiles:
CCC(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)CO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.76 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
