Glycoside
GD146545
Name:
6-amino-1,1-bis(methylsulfanyl)octane-2,3,4,5,7-pentolFormula:
C10H23O5NS2Smiles:
CSC(SC)C(O)C(O)C(O)C(O)C(N)C(C)OAglycone:
CC(O)CN.CSCSCSugarmoiety:
CC(O)O.OOC(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 301.43 | Num_heavy_atoms: | 18 |
| TPSA: | 127.17 | 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 |
AD58754
Formula: C3H9ON
Smiles:
CC(O)CN| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 75.11 | Num_heavy_atoms: | 5 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
