Glycoside
GD040112
Name:
(2r,3r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-{[3-o-(2,6-diamino-2,3,4,6-tetradeoxy-beta-l-threo-hexopyranosyl)-beta-d-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamideFormula:
C27H52O11N7FSmiles:
NC[C@@H]1CC[C@H](N)[C@@H](O[C@@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@H]4O[C@@H](CN)CC[C@H]4N)[C@@H](N)C[C@@H](NC(=O)[C@@H](O)[C@@H](F)CN)[C@H]3O)O[C@@H]2CO)O1Aglycone:
NCC1CCC(N)C(O)O1.NCC1CCC(N)C(OC2C(N)CC(NC(=O)C(O)C(F)CN)C(O)C2O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.96 |
| AlogP: | -5.96 | Num_rotatable_bonds: | 13 |
| MolWt: | 669.75 | Num_heavy_atoms: | 46 |
| TPSA: | 321.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD07457
Formula: C6H14O2N2
Smiles:
NCC1CCC(N)C(O)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 81.5 | NumAromaticRings: | 0 |
AD24668
Formula: C16H32O6N5F
Smiles:
NCC1CCC(N)C(OC2C(N)CC(NC(=O)C(O)C(F)CN)C(O)C2O)O1| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -4.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 409.46 | Num_heavy_atoms: | 28 |
| TPSA: | 212.33 | NumAromaticRings: | 0 |
