Glycoside
GD022127
Name:
NoneFormula:
C25H50O13N6Smiles:
NC[C@@H]1O[C@H](COC[C@H]2[C@H](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)O[C@H]2CO)[C@H](N)[C@H](O)[C@H]1OAglycone:
COCC1OC(CN)C(O)C(O)C1N.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 1.0 |
| AlogP: | -8.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 642.7 | Num_heavy_atoms: | 44 |
| TPSA: | 353.11 | 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 |
AD15035
Formula: C8H18O4N2
Smiles:
COCC1OC(CN)C(O)C(O)C1N| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.24 | Num_heavy_atoms: | 14 |
| TPSA: | 110.96 | NumAromaticRings: | 0 |
