Glycoside
...
GD013894

Name:
None

Formula:
C45H50O6N4

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCc3ccc4ccccc4c3)[C@H]2O)[C@H](N)[C@H](OCc2cccc3ccccc23)[C@H]1OCc1ccc2ccccc2c1

Aglycone:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(O)C1O.OCc1ccc2ccccc2c1.OCc1cccc2ccccc12

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 8
HBD: 9 FractionCSP3: 0.33
AlogP: 5.02 Num_rotatable_bonds: 12
MolWt: 742.92 Num_heavy_atoms: 55
TPSA: 170.46 NumAromaticRings: 6

Unique Aglycone
AD01045
Formula: C11H10O

Smiles:
OCc1ccc2ccccc2c1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.33 Num_rotatable_bonds: 1
MolWt: 158.2 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 2
AD04307
Formula: C11H10O

Smiles:
OCc1cccc2ccccc12
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.33 Num_rotatable_bonds: 1
MolWt: 158.2 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 2
AD06933
Formula: C17H22O3N2

Smiles:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(O)C1O
HBA: 5 RingCount: 3
HBD: 6 FractionCSP3: 0.41
AlogP: 0.51 Num_rotatable_bonds: 3
MolWt: 302.37 Num_heavy_atoms: 22
TPSA: 101.73 NumAromaticRings: 2

Sugarmoiety
SD00112

NCC1OC(O)C(N)C(O)C1O