Glycoside
GD006660
Name:
NoneFormula:
C37H75O5NSSmiles:
CCCCCCCCCCCCCCO[C@@H]1[C@@H](OC)O[C@@H](CSCCN)[C@@H](O)[C@H]1OCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCO.CCCCCCCCCCCCCCO.CSCCNSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 9.58 | Num_rotatable_bonds: | 33 |
| MolWt: | 646.08 | Num_heavy_atoms: | 44 |
| TPSA: | 83.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD00065
Formula: C14H30O
Smiles:
CCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 12 |
| MolWt: | 214.39 | Num_heavy_atoms: | 15 |
| 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 |
