Glycoside
...
GD040247

Name:
4,6-dideoxy-4-{[(1s,2r,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-allopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose

Formula:
C31H55O23N

Smiles:
C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1N[C@@H]1CC(CO)[C@@H](O)[C@@H](O)[C@H]1O

Aglycone:
NC1CC(CO)C(O)C(O)C1O

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 17 FractionCSP3: 1.0
AlogP: -10.66 Num_rotatable_bonds: 12
MolWt: 809.77 Num_heavy_atoms: 55
TPSA: 400.32 NumAromaticRings: 0

Unique Aglycone
AD24010
Formula: C7H15O4N

Smiles:
NC1CC(CO)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -2.59 Num_rotatable_bonds: 1
MolWt: 177.2 Num_heavy_atoms: 12
TPSA: 106.94 NumAromaticRings: 0

Sugarmoiety
SD03572

CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O