Glycoside
...
GD098939

Name:
None

Formula:
C20H29O9N4

Smiles:
CCC1(Nc2cn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)[nH]c2=O)C[NH2+]C1

Aglycone:
CCC1(Nc2c[nH]c(=O)[nH]c2=O)C[NH2+]C1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.65
AlogP: -2.0 Num_rotatable_bonds: 8
MolWt: 469.47 Num_heavy_atoms: 33
TPSA: 171.63 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
AD42104
Formula: C9H15O2N4

Smiles:
CCC1(Nc2c[nH]c(=O)[nH]c2=O)C[NH2+]C1
HBA: 6 RingCount: 2
HBD: 5 FractionCSP3: 0.56
AlogP: -1.8 Num_rotatable_bonds: 3
MolWt: 211.24 Num_heavy_atoms: 15
TPSA: 94.36 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O