Glycoside
...
GD004744

Name:
None

Formula:
C38H62O13N9Cl

Smiles:
Cc1cc(OCCCCc2cn(C[C@@H]3O[C@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CN)[C@H](O)[C@H](O)[C@H]5N)[C@@H](N)C[C@@H](N)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)nn2)cc(C)c1Cl

Aglycone:
Cc1cc(OCCCCc2cn(C)nn2)cc(C)c1Cl.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 18 FractionCSP3: 0.78
AlogP: -4.92 Num_rotatable_bonds: 16
MolWt: 876.41 Num_heavy_atoms: 60
TPSA: 372.82 NumAromaticRings: 2

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD04102
Formula: C16H20ON3Cl

Smiles:
Cc1cc(OCCCCc2cn(C)nn2)cc(C)c1Cl
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.47
AlogP: 3.49 Num_rotatable_bonds: 6
MolWt: 293.8 Num_heavy_atoms: 20
TPSA: 39.94 NumAromaticRings: 2

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O