Glycoside
...
GD039795

Name:
(2s)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-3-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide

Formula:
C27H52O14N7F

Smiles:
NCC[C@H](O)C(=O)N[C@H]1C[C@@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@H](F)[C@H](O)[C@@H]2N)[C@@H](O[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]1O

Aglycone:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(F)C(O)C2N)C(O)C1O

Sugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 20 FractionCSP3: 0.96
AlogP: -9.05 Num_rotatable_bonds: 13
MolWt: 717.75 Num_heavy_atoms: 49
TPSA: 382.21 NumAromaticRings: 0

Unique Aglycone
AD24541
Formula: C16H32O7N5F

Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(F)C(O)C2N)C(O)C1O
HBA: 12 RingCount: 2
HBD: 13 FractionCSP3: 0.94
AlogP: -5.27 Num_rotatable_bonds: 7
MolWt: 425.46 Num_heavy_atoms: 29
TPSA: 232.56 NumAromaticRings: 0

Sugarmoiety
SD00500

NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O