Glycoside
...
GD017178

Name:
None

Formula:
C46H54O10N4

Smiles:
C[C@H](OCc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1)[C@H](NC(=O)OC(C)(C)C)C(=O)O

Aglycone:
CC(OCC1=C[N]N=N1)C(NC(=O)OC(C)(C)C)C(=O)O.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 2 FractionCSP3: 0.39
AlogP: 7.03 Num_rotatable_bonds: 20
MolWt: 822.96 Num_heavy_atoms: 60
TPSA: 161.72 NumAromaticRings: 5

Unique Aglycone
AD00042
Formula: C8H10O

Smiles:
COCc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 9.23 NumAromaticRings: 1
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
AD12293
Formula: C12H19O5N4

Smiles:
CC(OCC1=C[N]N=N1)C(NC(=O)OC(C)(C)C)C(=O)O
HBA: 9 RingCount: 1
HBD: 2 FractionCSP3: 0.67
AlogP: 1.2 Num_rotatable_bonds: 6
MolWt: 299.31 Num_heavy_atoms: 21
TPSA: 123.68 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O