Glycoside
...
GD027224

Name:
None

Formula:
C34H51O19N3S

Smiles:
CN(C)c1cccc2c(S(=O)(=O)N(CCO[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)CC(N)=O)cccc12

Aglycone:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 12 FractionCSP3: 0.68
AlogP: -6.15 Num_rotatable_bonds: 16
MolWt: 837.85 Num_heavy_atoms: 57
TPSA: 341.39 NumAromaticRings: 2

Unique Aglycone
AD10696
Formula: C16H21O4N3S

Smiles:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.31
AlogP: 0.37 Num_rotatable_bonds: 7
MolWt: 351.43 Num_heavy_atoms: 24
TPSA: 103.94 NumAromaticRings: 2

Sugarmoiety
SD00317

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O