Glycoside
...
GD108089

Name:
None

Formula:
C30H43O12N2

Smiles:
COc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.63
AlogP: 0.35 Num_rotatable_bonds: 13
MolWt: 623.68 Num_heavy_atoms: 44
TPSA: 166.43 NumAromaticRings: 1

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
AD44398
Formula: C16H25O3N2

Smiles:
COc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.56
AlogP: 0.59 Num_rotatable_bonds: 6
MolWt: 293.39 Num_heavy_atoms: 21
TPSA: 63.0 NumAromaticRings: 1

Sugarmoiety
SD00012

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