Glycoside
...
GD155306

Name:
None

Formula:
C25H30O14N4

Smiles:
COc1ccc(Cn2c(=O)cnn(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2=O)cc1[NH+]([O-])O

Aglycone:
COC(C)=O.COc1ccc(Cn2c(=O)cn[nH]c2=O)cc1[NH+]([O-])O

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: -1.88 Num_rotatable_bonds: 10
MolWt: 610.53 Num_heavy_atoms: 43
TPSA: 228.28 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
AD61610
Formula: C11H12O5N4

Smiles:
COc1ccc(Cn2c(=O)cn[nH]c2=O)cc1[NH+]([O-])O
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.18
AlogP: -1.61 Num_rotatable_bonds: 4
MolWt: 280.24 Num_heavy_atoms: 20
TPSA: 124.71 NumAromaticRings: 2

Sugarmoiety
SD00012

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