Glycoside
GD118862
Name:
NoneFormula:
C36H64O14SSmiles:
COC(CO)C1OC(OCCC(CCC(C)C2C(O)C(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(OS(=O)(=O)O)CC23O)C(C)C)C(O)C1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)CC12O.COCCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 752.96 | Num_heavy_atoms: | 51 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD47563
Formula: C29H52O9S
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.79 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
