Glycoside
...
GD000370

Name:
None

Formula:
C26H28O10N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(Cn3cc(C=O)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=Cc1cn(CC2=C[N]N=N2)c2ccccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 0 FractionCSP3: 0.42
AlogP: 1.35 Num_rotatable_bonds: 9
MolWt: 556.53 Num_heavy_atoms: 40
TPSA: 167.14 NumAromaticRings: 3

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
AD00417
Formula: C12H9ON4

Smiles:
O=Cc1cn(CC2=C[N]N=N2)c2ccccc12
HBA: 5 RingCount: 3
HBD: 0 FractionCSP3: 0.08
AlogP: 2.28 Num_rotatable_bonds: 3
MolWt: 225.23 Num_heavy_atoms: 17
TPSA: 60.82 NumAromaticRings: 2

Sugarmoiety
SD00012

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