Glycoside
...
GD037114

Name:
None

Formula:
C53H56O12N6

Smiles:
COc1ccc(COC(=O)Cn2cc(COC[C@@H]3O[C@H](OCc4cn(CC(=O)OCc5ccc(OC)cc5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)cc1

Aglycone:
COCc1cn(CC(=O)OCc2ccc(OC)cc2)nn1.COc1ccc(COC(=O)Cn2cc(CO)nn2)cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 0 FractionCSP3: 0.32
AlogP: 6.59 Num_rotatable_bonds: 26
MolWt: 969.06 Num_heavy_atoms: 71
TPSA: 187.86 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
AD23403
Formula: C14H17O4N3

Smiles:
COCc1cn(CC(=O)OCc2ccc(OC)cc2)nn1
HBA: 7 RingCount: 2
HBD: 0 FractionCSP3: 0.36
AlogP: 1.18 Num_rotatable_bonds: 7
MolWt: 291.31 Num_heavy_atoms: 21
TPSA: 75.47 NumAromaticRings: 2
AD23404
Formula: C13H15O4N3

Smiles:
COc1ccc(COC(=O)Cn2cc(CO)nn2)cc1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.31
AlogP: 0.52 Num_rotatable_bonds: 6
MolWt: 277.28 Num_heavy_atoms: 20
TPSA: 86.47 NumAromaticRings: 2

Sugarmoiety
SD00017

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