Glycoside
...
GD015554

Name:
None

Formula:
C41H45O6N7Cl2S

Smiles:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc1)C2

Aglycone:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 6 FractionCSP3: 0.44
AlogP: 6.53 Num_rotatable_bonds: 17
MolWt: 810.81 Num_heavy_atoms: 55
TPSA: 181.11 NumAromaticRings: 5

Unique Aglycone
AD11293
Formula: C36H36O2N7Cl2S

Smiles:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2
HBA: 9 RingCount: 6
HBD: 3 FractionCSP3: 0.35
AlogP: 8.48 Num_rotatable_bonds: 15
MolWt: 677.68 Num_heavy_atoms: 46
TPSA: 119.83 NumAromaticRings: 4

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O