Glycoside
...
GD097600

Name:
None

Formula:
C21H25O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(O[C@H]4CCNC(=O)C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1CC(Oc2ncnc3c2N=C[N]3)CCN1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 1 FractionCSP3: 0.57
AlogP: -0.19 Num_rotatable_bonds: 7
MolWt: 491.46 Num_heavy_atoms: 35
TPSA: 170.06 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
AD41541
Formula: C10H10O2N5

Smiles:
O=C1CC(Oc2ncnc3c2N=C[N]3)CCN1
HBA: 7 RingCount: 3
HBD: 1 FractionCSP3: 0.4
AlogP: 0.04 Num_rotatable_bonds: 2
MolWt: 232.22 Num_heavy_atoms: 17
TPSA: 90.57 NumAromaticRings: 1

Sugarmoiety
SD00105

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