Glycoside
...
GD098296

Name:
None

Formula:
C19H25O8N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N(C)CCO)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN(CCO)c1ncnc2c1N=C[N]2.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.58
AlogP: -0.42 Num_rotatable_bonds: 8
MolWt: 451.44 Num_heavy_atoms: 32
TPSA: 155.2 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
AD41816
Formula: C8H10ON5

Smiles:
CN(CCO)c1ncnc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.38
AlogP: -0.19 Num_rotatable_bonds: 3
MolWt: 192.2 Num_heavy_atoms: 14
TPSA: 75.71 NumAromaticRings: 1

Sugarmoiety
SD00105

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