Glycoside
GD003633
Name:
NoneFormula:
C31H59O12N9Smiles:
CCCCCCc1cn(C[C@@H]2O[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](O)[C@H]2O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)nn1Aglycone:
CCCCCCc1cn(C)nn1.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: | 18 | FractionCSP3: | 0.94 |
| AlogP: | -6.47 | Num_rotatable_bonds: | 15 |
| MolWt: | 749.86 | Num_heavy_atoms: | 52 |
| TPSA: | 363.59 | NumAromaticRings: | 1 |
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 |
AD03278
Formula: C9H17N3
Smiles:
CCCCCCc1cn(C)nn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 167.26 | Num_heavy_atoms: | 12 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
