Glycoside
...
GD018091

Name:
None

Formula:
C52H79O13N9Cl2

Smiles:
CC(C)(C)CC(C)(C)c1ccc(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)c(Cc2ccc(Cl)cc2Cl)c1

Aglycone:
Cn1cc(CCCCOc2ccc(C(C)(C)CC(C)(C)C)cc2Cc2ccc(Cl)cc2Cl)nn1.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: 7
HBD: 18 FractionCSP3: 0.72
AlogP: -0.58 Num_rotatable_bonds: 20
MolWt: 1085.14 Num_heavy_atoms: 74
TPSA: 372.82 NumAromaticRings: 3

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
AD12819
Formula: C30H37ON3Cl2

Smiles:
Cn1cc(CCCCOc2ccc(C(C)(C)CC(C)(C)C)cc2Cc2ccc(Cl)cc2Cl)nn1
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.5
AlogP: 7.83 Num_rotatable_bonds: 10
MolWt: 502.53 Num_heavy_atoms: 34
TPSA: 39.94 NumAromaticRings: 3

Sugarmoiety
SD00021

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