Glycoside
...
GD098179

Name:
None

Formula:
C21H25O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NCc3ccnc(N)c3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cc(CNc2c[nH]c(=O)[nH]c2=O)ccn1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.43
AlogP: -0.55 Num_rotatable_bonds: 8
MolWt: 491.46 Num_heavy_atoms: 35
TPSA: 193.93 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
AD41772
Formula: C10H11O2N5

Smiles:
Nc1cc(CNc2c[nH]c(=O)[nH]c2=O)ccn1
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.1
AlogP: -0.35 Num_rotatable_bonds: 3
MolWt: 233.23 Num_heavy_atoms: 17
TPSA: 116.66 NumAromaticRings: 2

Sugarmoiety
SD00105

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