Glycoside
GD139772
Name:
NoneFormula:
C38H66O18SSmiles:
COC1C(O)COC(OC2C(OC(CCC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(OS(=O)(=O)O)C(O)C34O)C(C)C)OC(CO)C2O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)C(O)C12OSugarmoiety:
COC1C(O)COC(OC2C(O)OC(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 843.0 | Num_heavy_atoms: | 57 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD56366
Formula: C27H48O10S
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)C(O)C12O| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.74 | Num_heavy_atoms: | 38 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
