Glycoside
...
GD103397

Name:
None

Formula:
C22H31O10N3

Smiles:
CCCCC(=O)[C@H](C)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O

Aglycone:
CCCCC(=O)C(C)Nc1c[nH]c(=O)[nH]c1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.64
AlogP: 0.42 Num_rotatable_bonds: 11
MolWt: 497.5 Num_heavy_atoms: 35
TPSA: 172.09 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
AD43766
Formula: C11H17O3N3

Smiles:
CCCCC(=O)C(C)Nc1c[nH]c(=O)[nH]c1=O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.55
AlogP: 0.62 Num_rotatable_bonds: 6
MolWt: 239.28 Num_heavy_atoms: 17
TPSA: 94.82 NumAromaticRings: 1

Sugarmoiety
SD00105

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