Glycoside
GD124234
Name:
GlucohirsutinFormula:
C16H31O10NS3Smiles:
CS(=O)CCCCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)CCCCCCCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 13 |
| MolWt: | 493.62 | Num_heavy_atoms: | 30 |
| TPSA: | 183.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD50178
Formula: C10H21O5NS3
Smiles:
CS(=O)CCCCCCCCC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 331.48 | Num_heavy_atoms: | 19 |
| TPSA: | 93.03 | NumAromaticRings: | 0 |
