Glycoside
...
GD098965

Name:
None

Formula:
C20H25O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-n3ccc(C[NH3+])c3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH3+]Cc1ccn(-c2c[nH]c(=O)[nH]c2=O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: -1.61 Num_rotatable_bonds: 7
MolWt: 465.44 Num_heavy_atoms: 33
TPSA: 175.56 NumAromaticRings: 2

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
AD42124
Formula: C9H11O2N4

Smiles:
[NH3+]Cc1ccn(-c2c[nH]c(=O)[nH]c2=O)c1
HBA: 6 RingCount: 2
HBD: 5 FractionCSP3: 0.11
AlogP: -1.4 Num_rotatable_bonds: 2
MolWt: 207.21 Num_heavy_atoms: 15
TPSA: 98.29 NumAromaticRings: 2

Sugarmoiety
SD00105

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