Glycoside
...
GD095514

Name:
None

Formula:
C20H26O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-n3cc(CC[NH3+])cn3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH3+]CCc1cnn(-c2c[nH]c(=O)[nH]c2=O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: -2.17 Num_rotatable_bonds: 8
MolWt: 480.45 Num_heavy_atoms: 34
TPSA: 188.45 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
AD40754
Formula: C9H12O2N5

Smiles:
[NH3+]CCc1cnn(-c2c[nH]c(=O)[nH]c2=O)c1
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.22
AlogP: -1.97 Num_rotatable_bonds: 3
MolWt: 222.23 Num_heavy_atoms: 16
TPSA: 111.18 NumAromaticRings: 2

Sugarmoiety
SD00105

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