Glycoside
...
GD104430

Name:
None

Formula:
C22H23O8N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(Nc4ccccc4)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]c(Nc2ccccc2)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.36
AlogP: 1.19 Num_rotatable_bonds: 7
MolWt: 485.45 Num_heavy_atoms: 35
TPSA: 163.73 NumAromaticRings: 3

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
AD43988
Formula: C11H8ON5

Smiles:
O=c1[nH]c(Nc2ccccc2)nc2c1N=C[N]2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 1.42 Num_rotatable_bonds: 2
MolWt: 226.22 Num_heavy_atoms: 17
TPSA: 84.24 NumAromaticRings: 2

Sugarmoiety
SD00105

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