Glycoside
GD039593
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-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-d-glucopyranosideFormula:
C26H51O13N5Smiles:
CCC[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@@H]3N)[C@@H]2O)[C@@H](N)[C@H]1OAglycone:
CCCC1C(CO)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1OSugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -6.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 641.72 | Num_heavy_atoms: | 44 |
| TPSA: | 327.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD23435
Formula: C15H31O6N3
Smiles:
CCCC1C(CO)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 349.43 | Num_heavy_atoms: | 24 |
| TPSA: | 177.44 | NumAromaticRings: | 0 |
