Glycoside
...
GD098321

Name:
None

Formula:
C21H24O10N4

Smiles:
COC(=O)c1ccc(-c2cn([C@H]3[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)nn2)cn1

Aglycone:
COC(=O)c1ccc(C2=C[N]N=N2)cn1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: -0.19 Num_rotatable_bonds: 7
MolWt: 492.44 Num_heavy_atoms: 35
TPSA: 178.26 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
AD41827
Formula: C9H7O2N4

Smiles:
COC(=O)c1ccc(C2=C[N]N=N2)cn1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.11
AlogP: 1.15 Num_rotatable_bonds: 2
MolWt: 203.18 Num_heavy_atoms: 15
TPSA: 78.01 NumAromaticRings: 1

Sugarmoiety
SD00013

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