Glycoside
...
GD146285

Name:
2-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5-trihydroxycyclohexyl 3,3a,4-trihydroxy-5'-(4-hydroxybenzoyloxy)-4'-methyl-hexahydro-3H-spiro[1-benzofuran-2,2'-oxane]-6-carboxylate

Formula:
C35H49O19N

Smiles:
CC(O)=NC1C(OC2C(OC(=O)C3CC(O)C4(O)C(C3)OC3(CC(C)C(OC(=O)c5ccc(O)cc5)CO3)C4O)CC(O)C(O)C2O)OC(CO)C(O)C1O

Aglycone:
CC1CC2(OCC1OC(=O)c1ccc(O)cc1)OC1CC(C(=O)OC3CC(O)C(O)C(O)C3O)CC(O)C1(O)C2O

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 11 FractionCSP3: 0.74
AlogP: -3.5 Num_rotatable_bonds: 8
MolWt: 787.77 Num_heavy_atoms: 55
TPSA: 324.41 NumAromaticRings: 1

Unique Aglycone
AD58670
Formula: C27H36O14

Smiles:
CC1CC2(OCC1OC(=O)c1ccc(O)cc1)OC1CC(C(=O)OC3CC(O)C(O)C(O)C3O)CC(O)C1(O)C2O
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.7
AlogP: -2.31 Num_rotatable_bonds: 4
MolWt: 584.57 Num_heavy_atoms: 41
TPSA: 232.9 NumAromaticRings: 1

Sugarmoiety
SD04405

CC(O)=NC1C(O)OC(CO)C(O)C1O