Glycoside
GD040042
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-o-benzyl-2-deoxy-alpha-d-glucopyranosideFormula:
C30H51O14N5Smiles:
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](CO)[C@@H](OCc5ccccc5)[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(O)C(O)C1O.OCc1ccccc1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 0.8 |
| AlogP: | -6.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 705.76 | Num_heavy_atoms: | 49 |
| TPSA: | 336.32 | 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 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
