Glycoside
...
GD031553

Name:
None

Formula:
C68H70O12N8

Smiles:
CO[C@H]1O[C@@H](Cn2cc(NC(=O)c3cccc(C(=O)Nc4cn(C[C@H]5O[C@@H](OC)[C@H](OCc6ccccc6)[C@@H](OCc6ccccc6)[C@H]5OCc5ccccc5)nn4)c3)nn2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Aglycone:
Cn1cc(NC(=O)c2cccc(C(=O)Nc3cn(C)nn3)c2)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O.COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 11
HBD: 2 FractionCSP3: 0.29
AlogP: 9.63 Num_rotatable_bonds: 28
MolWt: 1191.35 Num_heavy_atoms: 88
TPSA: 211.92 NumAromaticRings: 9

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD20319
Formula: C14H14O2N8

Smiles:
Cn1cc(NC(=O)c2cccc(C(=O)Nc3cn(C)nn3)c2)nn1
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 0.45 Num_rotatable_bonds: 4
MolWt: 326.32 Num_heavy_atoms: 24
TPSA: 119.62 NumAromaticRings: 3

Sugarmoiety
SD00546

COC1OC(O)C(O)C(O)C1O.COC1OC(O)C(O)C(O)C1O