Glycoside
...
GD002487

Name:
None

Formula:
C44H60O14N9Cl3

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](Cn3cc(CCCCOc4cc(Cl)cc(Oc5cc(Cl)cc(Cl)c5)c4)nn3)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
Cn1cc(CCCCOc2cc(Cl)cc(Oc3cc(Cl)cc(Cl)c3)c2)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: 23 RingCount: 7
HBD: 18 FractionCSP3: 0.66
AlogP: -2.44 Num_rotatable_bonds: 18
MolWt: 1009.34 Num_heavy_atoms: 67
TPSA: 382.05 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
AD02371
Formula: C22H18O2N3Cl3

Smiles:
Cn1cc(CCCCOc2cc(Cl)cc(Oc3cc(Cl)cc(Cl)c3)c2)nn1
HBA: 5 RingCount: 3
HBD: 0 FractionCSP3: 0.26
AlogP: 5.97 Num_rotatable_bonds: 8
MolWt: 426.73 Num_heavy_atoms: 27
TPSA: 49.17 NumAromaticRings: 3

Sugarmoiety
SD00021

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