Glycoside
GD039852
Name:
(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranosideFormula:
C30H49O14N5Smiles:
NC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@H]4O[C@@H]5CO[C@@H](c6ccccc6)O[C@@H]5[C@@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O[C@@H]2CO)[C@@H](N)[C@@H](O)[C@H]1OAglycone:
NC1CC(N)C(OC2OC3COC(c4ccccc4)OC3C(O)C2N)C(O)C1OSugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.8 |
| AlogP: | -6.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 703.74 | Num_heavy_atoms: | 49 |
| TPSA: | 325.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD24557
Formula: C19H29O7N3
Smiles:
NC1CC(N)C(OC2OC3COC(c4ccccc4)OC3C(O)C2N)C(O)C1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.46 | Num_heavy_atoms: | 29 |
| TPSA: | 175.67 | NumAromaticRings: | 1 |
