Glycoside
GD017595
Name:
NoneFormula:
C28H54O12N10Smiles:
CN(C)Cc1cn(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:
CN(C)Cc1cn(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: | 22 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.93 |
| AlogP: | -8.53 | Num_rotatable_bonds: | 12 |
| MolWt: | 722.8 | Num_heavy_atoms: | 50 |
| TPSA: | 366.83 | 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 |
AD12540
Formula: C6H12N4
Smiles:
CN(C)Cc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.19 | Num_heavy_atoms: | 10 |
| TPSA: | 33.95 | NumAromaticRings: | 1 |
