Glycoside
...
GD038926

Name:
(2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-y l]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide

Formula:
C25H48O10N6

Smiles:
CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](NC(=O)[C@@H](O)CCN)C[C@@H](N)[C@@H](O[C@H]3OC(CNCCO)=CC[C@@H]3N)[C@H]2O)OC[C@]1(C)O

Aglycone:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CNCCO)=CCC2N)C(O)C1O

Sugarmoiety:
CNC1C(O)C(O)OCC1(C)O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 14 FractionCSP3: 0.88
AlogP: -5.36 Num_rotatable_bonds: 13
MolWt: 592.69 Num_heavy_atoms: 41
TPSA: 269.29 NumAromaticRings: 0

Unique Aglycone
AD00234
Formula: C18H35O7N5

Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CNCCO)=CCC2N)C(O)C1O
HBA: 12 RingCount: 2
HBD: 12 FractionCSP3: 0.83
AlogP: -4.44 Num_rotatable_bonds: 10
MolWt: 433.51 Num_heavy_atoms: 30
TPSA: 218.57 NumAromaticRings: 0

Sugarmoiety
SD00572

CNC1C(O)C(O)OCC1(C)O