Glycoside
GD151689
Name:
N-[2,4,5,6,7-pentahydroxy-8,8-bis(methylsulfanyl)octan-3-yl]acetamideFormula:
C12H25O6NS2Smiles:
CSC(SC)C(O)C(O)C(O)C(O)C(N=C(C)O)C(C)OAglycone:
CC(O)=NCC(C)O.CSCSCSugarmoiety:
CC(O)O.OOC(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 343.47 | Num_heavy_atoms: | 21 |
| TPSA: | 133.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD43985
Formula: C3H8S2
Smiles:
CSCSC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 108.23 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD55952
Formula: C5H11O2N
Smiles:
CC(O)=NCC(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
