Glycoside
...
GD036078

Name:
None

Formula:
C55H54O10N6Cl2

Smiles:
Cc1cc(COC(=O)Cn2cc(COC[C@@H]3O[C@H](OCc4cn(CC(=O)OCc5ccc(Cl)c(C)c5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)ccc1Cl

Aglycone:
COCc1cn(CC(=O)OCc2ccc(Cl)c(C)c2)nn1.Cc1cc(COC(=O)Cn2cc(CO)nn2)ccc1Cl.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 0 FractionCSP3: 0.32
AlogP: 8.49 Num_rotatable_bonds: 24
MolWt: 1005.95 Num_heavy_atoms: 71
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
AD22788
Formula: C15H16O3N3Cl

Smiles:
COCc1cn(CC(=O)OCc2ccc(Cl)c(C)c2)nn1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.36
AlogP: 2.13 Num_rotatable_bonds: 6
MolWt: 309.75 Num_heavy_atoms: 21
TPSA: 66.24 NumAromaticRings: 2
AD22789
Formula: C14H14O3N3Cl

Smiles:
Cc1cc(COC(=O)Cn2cc(CO)nn2)ccc1Cl
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.31
AlogP: 1.48 Num_rotatable_bonds: 5
MolWt: 295.73 Num_heavy_atoms: 20
TPSA: 77.24 NumAromaticRings: 2

Sugarmoiety
SD00017

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