Glycoside
...
GD016329

Name:
None

Formula:
C26H31O8N5

Smiles:
CCCCc1ccc(Nc2nc3c(ncn3C3OC(COC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)[nH]2)cc1

Aglycone:
CCCCc1ccc(Nc2nc3c(c(=O)[nH]2)N=C[N]3)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.46
AlogP: 2.53 Num_rotatable_bonds: 10
MolWt: 541.56 Num_heavy_atoms: 39
TPSA: 163.73 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
AD04622
Formula: C15H16ON5

Smiles:
CCCCc1ccc(Nc2nc3c(c(=O)[nH]2)N=C[N]3)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.27
AlogP: 2.77 Num_rotatable_bonds: 5
MolWt: 282.33 Num_heavy_atoms: 21
TPSA: 84.24 NumAromaticRings: 2

Sugarmoiety
SD00105

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