Glycoside
GD010744
Name:
NoneFormula:
C28H54O13N8Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CNC(=O)[C@@H]3CCCN3)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CNC(=O)C1CCCN1.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: | 5 |
| HBD: | 20 | FractionCSP3: | 0.96 |
| AlogP: | -9.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 710.78 | Num_heavy_atoms: | 49 |
| TPSA: | 374.01 | 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 |
AD08252
Formula: C6H12ON2
Smiles:
CNC(=O)C1CCCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
