Glycoside
...
GD103401

Name:
None

Formula:
C22H31O7N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4(C)CC[NH2+]CC4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC1(Nc2ncnc3c2N=C[N]3)CC[NH2+]CC1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 3 FractionCSP3: 0.64
AlogP: -0.32 Num_rotatable_bonds: 7
MolWt: 491.53 Num_heavy_atoms: 35
TPSA: 160.37 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
AD43769
Formula: C11H16N6

Smiles:
CC1(Nc2ncnc3c2N=C[N]3)CC[NH2+]CC1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.55
AlogP: -0.09 Num_rotatable_bonds: 2
MolWt: 232.29 Num_heavy_atoms: 17
TPSA: 80.88 NumAromaticRings: 1

Sugarmoiety
SD00105

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