Glycoside
...
GD036069

Name:
None

Formula:
C31H31O13N

Smiles:
CC(=O)Nc1ccc(-c2oc3ccccc3c(=O)c2O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

Aglycone:
CC(=O)Nc1ccc(-c2oc3ccccc3c(=O)c2O)cc1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 1 FractionCSP3: 0.35
AlogP: 2.88 Num_rotatable_bonds: 9
MolWt: 625.58 Num_heavy_atoms: 45
TPSA: 182.97 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
AD22781
Formula: C17H13O4N

Smiles:
CC(=O)Nc1ccc(-c2oc3ccccc3c(=O)c2O)cc1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 3.12 Num_rotatable_bonds: 2
MolWt: 295.29 Num_heavy_atoms: 22
TPSA: 79.54 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O