Glycoside
GD140533
Name:
NoneFormula:
C33H52O13SSmiles:
C=C(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OS(=O)(=O)O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(OS(=O)(=O)O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 688.83 | Num_heavy_atoms: | 47 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD56660
Formula: C27H42O8S
Smiles:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(OS(=O)(=O)O)C5(C)C4CCC3(C)C2C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.69 | Num_heavy_atoms: | 36 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
