Glycoside
...
GD008744

Name:
None

Formula:
C15H16O11N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(=O)[nH]c(=O)c3c2no[n+]3[O-])[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]c(=O)c2c(no[n+]2[O-])[nH]1

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: -2.36 Num_rotatable_bonds: 5
MolWt: 428.31 Num_heavy_atoms: 30
TPSA: 195.96 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
AD06942
Formula: C4H2O4N4

Smiles:
O=c1[nH]c(=O)c2c(no[n+]2[O-])[nH]1
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -2.16 Num_rotatable_bonds: 0
MolWt: 170.08 Num_heavy_atoms: 12
TPSA: 118.69 NumAromaticRings: 2

Sugarmoiety
SD00105

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