Glycoside
GD013662
Name:
NoneFormula:
C27H55O9N5SSmiles:
CCCCCCCCSCC[C@@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H](N)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](O)[C@H](N)[C@H]1OAglycone:
CCCCCCCCSCC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 15 |
| MolWt: | 625.83 | Num_heavy_atoms: | 42 |
| TPSA: | 268.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD10156
Formula: C10H22S
Smiles:
CCCCCCCCSCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 174.35 | Num_heavy_atoms: | 11 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
