Glycoside
GD011791
Name:
NoneFormula:
C28H56O10N4SSmiles:
CCCCCCCCCCSC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](O)[C@H](N)[C@H]1OAglycone:
CCCCCCCCCCSC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 16 |
| MolWt: | 640.84 | Num_heavy_atoms: | 43 |
| TPSA: | 262.38 | 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 |
AD08964
Formula: C11H24S
Smiles:
CCCCCCCCCCSC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 188.38 | Num_heavy_atoms: | 12 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
