Glycoside
...
GD109908

Name:
None

Formula:
C30H30O10N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)c1cc(-c2ccccc2)nc2ccccc12

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.33
AlogP: 2.71 Num_rotatable_bonds: 8
MolWt: 578.57 Num_heavy_atoms: 42
TPSA: 156.42 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44591
Formula: C16H12ON2

Smiles:
NC(=O)c1cc(-c2ccccc2)nc2ccccc12
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 3.0 Num_rotatable_bonds: 2
MolWt: 248.28 Num_heavy_atoms: 19
TPSA: 55.98 NumAromaticRings: 3

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O