Glycoside
...
GD037477

Name:
None

Formula:
C51H52O10N6

Smiles:
O=C(Cn1cc(COC[C@@H]2O[C@H](OCc3cn(CC(=O)OCc4ccccc4)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1)OCc1ccccc1

Aglycone:
COCc1cn(CC(=O)OCc2ccccc2)nn1.O=C(Cn1cc(CO)nn1)OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 0 FractionCSP3: 0.29
AlogP: 6.57 Num_rotatable_bonds: 24
MolWt: 909.01 Num_heavy_atoms: 67
TPSA: 169.4 NumAromaticRings: 7

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
AD23600
Formula: C13H15O3N3

Smiles:
COCc1cn(CC(=O)OCc2ccccc2)nn1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.31
AlogP: 1.17 Num_rotatable_bonds: 6
MolWt: 261.28 Num_heavy_atoms: 19
TPSA: 66.24 NumAromaticRings: 2
AD23601
Formula: C12H13O3N3

Smiles:
O=C(Cn1cc(CO)nn1)OCc1ccccc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 0.51 Num_rotatable_bonds: 5
MolWt: 247.25 Num_heavy_atoms: 18
TPSA: 77.24 NumAromaticRings: 2

Sugarmoiety
SD00017

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