Glycoside
...
GD028868

Name:
None

Formula:
C41H72O24N12

Smiles:
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COCc1cn(CC(Cn2cc(COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nn2)(Cn2cc(COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nn2)Cn2cc(COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nn2)nn1

Aglycone:
Cc1cn(CC(Cn2cc(C)nn2)(Cn2cc(C)nn2)Cn2cc(C)nn2)nn1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO

Other Identifiers

Properties
HBA: 36 RingCount: 4
HBD: 20 FractionCSP3: 0.8
AlogP: -13.05 Num_rotatable_bonds: 40
MolWt: 1117.09 Num_heavy_atoms: 77
TPSA: 564.36 NumAromaticRings: 4

Unique Aglycone
AD18822
Formula: C17H24N12

Smiles:
Cc1cn(CC(Cn2cc(C)nn2)(Cn2cc(C)nn2)Cn2cc(C)nn2)nn1
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.53
AlogP: 0.37 Num_rotatable_bonds: 8
MolWt: 396.46 Num_heavy_atoms: 29
TPSA: 122.84 NumAromaticRings: 4

Sugarmoiety
SD02743

OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO