Glycoside
GD013676
Name:
NoneFormula:
C26H52O13N8Smiles:
C[C@H](N)C(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NAglycone:
CNC(=O)C(C)N.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.96 |
| AlogP: | -9.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 684.75 | Num_heavy_atoms: | 47 |
| TPSA: | 388.0 | 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 |
AD10164
Formula: C4H10ON2
Smiles:
CNC(=O)C(C)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
