Glycoside
...
GD037016

Name:
None

Formula:
C55H60O14N6

Smiles:
COc1ccc(OC)c(COC(=O)Cn2cc(COC[C@@H]3O[C@H](OCc4cn(CC(=O)OCc5cc(OC)ccc5OC)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)c1

Aglycone:
COCc1cn(CC(=O)OCc2cc(OC)ccc2OC)nn1.COc1ccc(OC)c(COC(=O)Cn2cc(CO)nn2)c1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 0 FractionCSP3: 0.35
AlogP: 6.61 Num_rotatable_bonds: 28
MolWt: 1029.11 Num_heavy_atoms: 75
TPSA: 206.32 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
AD23346
Formula: C15H19O5N3

Smiles:
COCc1cn(CC(=O)OCc2cc(OC)ccc2OC)nn1
HBA: 8 RingCount: 2
HBD: 0 FractionCSP3: 0.4
AlogP: 1.19 Num_rotatable_bonds: 8
MolWt: 321.33 Num_heavy_atoms: 23
TPSA: 84.7 NumAromaticRings: 2
AD23347
Formula: C14H17O5N3

Smiles:
COc1ccc(OC)c(COC(=O)Cn2cc(CO)nn2)c1
HBA: 8 RingCount: 2
HBD: 1 FractionCSP3: 0.36
AlogP: 0.53 Num_rotatable_bonds: 7
MolWt: 307.31 Num_heavy_atoms: 22
TPSA: 95.7 NumAromaticRings: 2

Sugarmoiety
SD00017

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