Glycoside
...
GD030953

Name:
None

Formula:
C22H29O6N6Cl

Smiles:
C[C@]1(O)[C@H](O)[C@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21

Aglycone:
COC(=O)NC1CCCC1.Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 4 FractionCSP3: 0.71
AlogP: 1.36 Num_rotatable_bonds: 6
MolWt: 496.95 Num_heavy_atoms: 34
TPSA: 152.88 NumAromaticRings: 2

Unique Aglycone
AD00046
Formula: C10H9ON5Cl

Smiles:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 1.24 Num_rotatable_bonds: 2
MolWt: 238.66 Num_heavy_atoms: 16
TPSA: 73.5 NumAromaticRings: 1
AD11582
Formula: C7H13O2N

Smiles:
COC(=O)NC1CCCC1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.86
AlogP: 1.28 Num_rotatable_bonds: 1
MolWt: 143.19 Num_heavy_atoms: 10
TPSA: 38.33 NumAromaticRings: 0

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O