Glycoside
GD117813
Name:
NoneFormula:
C41H64O15SSmiles:
CC(C)=CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2Aglycone:
CC(C)=CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 829.02 | Num_heavy_atoms: | 57 |
| TPSA: | 227.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD47024
Formula: C30H46O4
Smiles:
CC(C)=CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
