Glycoside
GD038149
Name:
(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosideFormula:
C19H36O8N4Smiles:
CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@H]3OC(CO)=CC[C@@H]3N)[C@H]2O)OC[C@]1(C)OAglycone:
NC1CC=C(CO)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.89 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.52 | Num_heavy_atoms: | 31 |
| TPSA: | 207.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD01988
Formula: C12H23O5N3
Smiles:
NC1CC=C(CO)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.33 | Num_heavy_atoms: | 20 |
| TPSA: | 157.21 | NumAromaticRings: | 0 |
