Glycoside
...
GD007720

Name:
None

Formula:
C56H58O6N4

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCc3ccc4ccccc4c3)[C@H]2OCc2ccc3ccccc3c2)[C@H](N)[C@H](OCc2cccc3ccccc23)[C@H]1OCc1ccc2ccccc2c1

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

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

Other Identifiers

Properties
HBA: 10 RingCount: 10
HBD: 8 FractionCSP3: 0.29
AlogP: 8.4 Num_rotatable_bonds: 15
MolWt: 883.1 Num_heavy_atoms: 66
TPSA: 159.46 NumAromaticRings: 8

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
AD06258
Formula: C28H30O3N2

Smiles:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCc2ccc3ccccc3c2)C1O
HBA: 5 RingCount: 5
HBD: 5 FractionCSP3: 0.29
AlogP: 3.88 Num_rotatable_bonds: 6
MolWt: 442.56 Num_heavy_atoms: 33
TPSA: 90.73 NumAromaticRings: 4

Sugarmoiety
SD00112

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