Glycoside
...
GD026529

Name:
None

Formula:
C38H54O14N8S

Smiles:
NCC1O[C@H](O[C@@H]2[C@H](CNC(=S)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)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:
CNC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.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: 20 FractionCSP3: 0.61
AlogP: -6.13 Num_rotatable_bonds: 11
MolWt: 878.96 Num_heavy_atoms: 61
TPSA: 391.08 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
AD17480
Formula: C16H12O2N2S

Smiles:
CNC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 2.38 Num_rotatable_bonds: 1
MolWt: 296.35 Num_heavy_atoms: 21
TPSA: 58.2 NumAromaticRings: 2

Sugarmoiety
SD00021

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