Glycoside
GD010739
Name:
NoneFormula:
C21H43O5NSSmiles:
CCCCCCO[C@@H]1[C@@H](OC)O[C@@H](CSCCN)[C@@H](O)[C@H]1OCCCCCCAglycone:
CCCCCCO.CCCCCCO.CSCCNSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 17 |
| MolWt: | 421.64 | Num_heavy_atoms: | 28 |
| TPSA: | 83.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD00066
Formula: C6H14O
Smiles:
CCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD02368
Formula: C3H9NS
Smiles:
CSCCN| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 91.18 | Num_heavy_atoms: | 5 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
