Glycoside
...
GD110782

Name:
None

Formula:
C36H45O14N

Smiles:
COc1ccc(C2(CNC(=O)c3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC)c3)CCCC2)cc1OC

Aglycone:
COC(C)=O.COc1cc(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)ccc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 1 FractionCSP3: 0.53
AlogP: 3.42 Num_rotatable_bonds: 14
MolWt: 715.75 Num_heavy_atoms: 51
TPSA: 180.45 NumAromaticRings: 2

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
AD44659
Formula: C22H27O5N

Smiles:
COc1cc(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)ccc1O
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.41
AlogP: 3.66 Num_rotatable_bonds: 7
MolWt: 385.46 Num_heavy_atoms: 28
TPSA: 77.02 NumAromaticRings: 2

Sugarmoiety
SD00012

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