Glycoside
GD038874
Name:
(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranosideFormula:
C20H36O11N5PSmiles:
Cc1ncc(COP(=O)(O)O)c(CNC[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@@H]2O)c1OAglycone:
CNCc1c(COP(=O)(O)O)cnc(C)c1O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.75 |
| AlogP: | -4.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.51 | Num_heavy_atoms: | 37 |
| TPSA: | 289.35 | 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 |
AD24165
Formula: C9H15O5N2P
Smiles:
CNCc1c(COP(=O)(O)O)cnc(C)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.2 | Num_heavy_atoms: | 17 |
| TPSA: | 111.91 | NumAromaticRings: | 1 |
