Glycoside
GD017668
Name:
GUANIDINONEOMYCINFormula:
C29H58O13N18Smiles:
N=C(N)NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@H]4NC(=N)N)[C@@H](NC(=N)N)C[C@@H](NC(=N)N)[C@H]3O)[C@H]2O)[C@H](NC(=N)N)[C@H](O)[C@H]1OAglycone:
CNC(=N)N.CNC(=N)N.N=C(N)NC1CC(NC(=N)N)C(O)C(O)C1OSugarmoiety:
N=C(N)NC1C(O)OC(O)C(O)C1O.N=C(N)NC1C(OC2C(CO)OC(O)C2O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 4 |
| HBD: | 31 | FractionCSP3: | 0.79 |
| AlogP: | -11.75 | Num_rotatable_bonds: | 15 |
| MolWt: | 866.9 | Num_heavy_atoms: | 60 |
| TPSA: | 568.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD01954
Formula: C2H7N3
Smiles:
CNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.1 | Num_heavy_atoms: | 5 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD01955
Formula: C8H18O3N6
Smiles:
N=C(N)NC1CC(NC(=N)N)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.75 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.27 | Num_heavy_atoms: | 17 |
| TPSA: | 184.49 | NumAromaticRings: | 0 |
