Glycoside
GD005138
Name:
NoneFormula:
C22H44O11N4Smiles:
CCNC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](NCC)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CCNC1C(O)C(O)OC(CO)C1O.CCNCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -5.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.61 | Num_heavy_atoms: | 37 |
| TPSA: | 254.63 | 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 |
