Glycoside
...
GD097533

Name:
None

Formula:
C19H22O10N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(Nc3c[nH]c(=O)nc3N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nc(=O)[nH]cc1Nc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 5 FractionCSP3: 0.42
AlogP: -1.73 Num_rotatable_bonds: 7
MolWt: 494.42 Num_heavy_atoms: 35
TPSA: 226.79 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
AD41493
Formula: C8H8O3N6

Smiles:
Nc1nc(=O)[nH]cc1Nc1c[nH]c(=O)[nH]c1=O
HBA: 9 RingCount: 2
HBD: 6 FractionCSP3: 0.0
AlogP: -1.53 Num_rotatable_bonds: 2
MolWt: 236.19 Num_heavy_atoms: 17
TPSA: 149.52 NumAromaticRings: 2

Sugarmoiety
SD00105

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