Glycoside
GD133699
Name:
NoneFormula:
C36H58O13SSmiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 730.91 | Num_heavy_atoms: | 50 |
| TPSA: | 220.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD54097
Formula: C30H48O8S
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1(C)O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 568.77 | Num_heavy_atoms: | 39 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
