Glycoside
...
GD002061

Name:
None

Formula:
C42H51O12N13Cl2S

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](Cn4cc(CNC(=O)COc5ccc6sc(CNc7nncc(-c8c(Cl)cccc8Cl)n7)nc6c5)nn4)[C@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
Cn1cc(CNC(=O)COc2ccc3sc(CNc4nncc(-c5c(Cl)cccc5Cl)n4)nc3c2)nn1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 8
HBD: 16 FractionCSP3: 0.53
AlogP: -2.92 Num_rotatable_bonds: 16
MolWt: 1008.9 Num_heavy_atoms: 68
TPSA: 395.01 NumAromaticRings: 5

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
AD02005
Formula: C25H19O2N9Cl2S

Smiles:
Cn1cc(CNC(=O)COc2ccc3sc(CNc4nncc(-c5c(Cl)cccc5Cl)n4)nc3c2)nn1
HBA: 11 RingCount: 5
HBD: 2 FractionCSP3: 0.17
AlogP: 3.89 Num_rotatable_bonds: 9
MolWt: 556.44 Num_heavy_atoms: 37
TPSA: 132.63 NumAromaticRings: 5

Sugarmoiety
SD00503

NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O