Glycoside
GD128074
Name:
NoneFormula:
C36H58O12SSmiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 714.92 | Num_heavy_atoms: | 49 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD51881
Formula: C30H48O7S
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1(C)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 552.77 | Num_heavy_atoms: | 38 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
