Glycoside
...
GD098968

Name:
None

Formula:
C20H26O8N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(O[C@H]4C[NH2+][C@@H]4C)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC1[NH2+]CC1Oc1ncnc2c1N=C[N]2.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.6
AlogP: -1.14 Num_rotatable_bonds: 7
MolWt: 464.46 Num_heavy_atoms: 33
TPSA: 157.57 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
AD42126
Formula: C9H11ON5

Smiles:
CC1[NH2+]CC1Oc1ncnc2c1N=C[N]2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: -0.9 Num_rotatable_bonds: 2
MolWt: 205.22 Num_heavy_atoms: 15
TPSA: 78.08 NumAromaticRings: 1

Sugarmoiety
SD00105

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