Glycoside
...
GD097561

Name:
None

Formula:
C21H30O10N4

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

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 4 FractionCSP3: 0.62
AlogP: -0.83 Num_rotatable_bonds: 10
MolWt: 498.49 Num_heavy_atoms: 35
TPSA: 198.11 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
AD41516
Formula: C10H16O3N4

Smiles:
CCC(C)C(Nc1c[nH]c(=O)[nH]c1=O)C(N)=O
HBA: 7 RingCount: 1
HBD: 5 FractionCSP3: 0.5
AlogP: -0.62 Num_rotatable_bonds: 5
MolWt: 240.26 Num_heavy_atoms: 17
TPSA: 120.84 NumAromaticRings: 1

Sugarmoiety
SD00105

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