Glycoside
GD005783
Name:
Stk249708Formula:
C18H36O11N4Smiles:
NCC1O[C@H](OC2C(N)C[C@H](N)[C@H](O[C@@H]3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -7.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.5 | Num_heavy_atoms: | 33 |
| TPSA: | 282.61 | 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 |
