Glycoside
...
GD036544

Name:
None

Formula:
C27H48O7N4

Smiles:
CC(C)(C)c1cc(CNC[C@@H]2O[C@H](O[C@@H]3[C@H](N)C[C@H](N)[C@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O

Aglycone:
CNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 12 FractionCSP3: 0.78
AlogP: -0.98 Num_rotatable_bonds: 6
MolWt: 540.7 Num_heavy_atoms: 38
TPSA: 209.7 NumAromaticRings: 1

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD23035
Formula: C16H27ON

Smiles:
CNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.62
AlogP: 3.71 Num_rotatable_bonds: 2
MolWt: 249.4 Num_heavy_atoms: 18
TPSA: 32.26 NumAromaticRings: 1

Sugarmoiety
SD00266

NC1C(O)OC(O)C(O)C1O