Glycoside
...
GD096185

Name:
None

Formula:
C21H31O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CCC[C@@H](n3ncnn3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC1CCCC(n2ncnn2)C1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.76
AlogP: -0.17 Num_rotatable_bonds: 8
MolWt: 497.51 Num_heavy_atoms: 35
TPSA: 170.06 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD29189
Formula: C7H13N5

Smiles:
NC1CCCC(n2ncnn2)C1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.86
AlogP: 0.12 Num_rotatable_bonds: 1
MolWt: 167.22 Num_heavy_atoms: 12
TPSA: 69.62 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O