Glycoside
...
GD108525

Name:
None

Formula:
C28H41O12N2

Smiles:
CC[NH+](CC)CCNC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1

Aglycone:
CC[NH+](CC)CCNC(=O)c1ccc(O)c(OC)c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.61
AlogP: -0.19 Num_rotatable_bonds: 14
MolWt: 597.64 Num_heavy_atoms: 42
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
AD44399
Formula: C14H23O3N2

Smiles:
CC[NH+](CC)CCNC(=O)c1ccc(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.5
AlogP: 0.06 Num_rotatable_bonds: 7
MolWt: 267.35 Num_heavy_atoms: 19
TPSA: 63.0 NumAromaticRings: 1

Sugarmoiety
SD00012

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