Glycoside
GD039430
Name:
(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(2-phenylethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranosideFormula:
C33H58O14N6Smiles:
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](N)C[C@@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3N)[C@@H]2OCCNCCc2ccccc2)[C@@H](N)[C@@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.OCCNCCc1ccccc1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.82 |
| AlogP: | -7.01 | Num_rotatable_bonds: | 16 |
| MolWt: | 762.86 | Num_heavy_atoms: | 53 |
| TPSA: | 348.35 | 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 |
AD07499
Formula: C10H15ON
Smiles:
OCCNCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 165.24 | Num_heavy_atoms: | 12 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
