Glycoside
...
GD101545

Name:
None

Formula:
C21H27O9N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc3c(n2)CCC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ncc2c(n1)CCC2

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.62
AlogP: 0.46 Num_rotatable_bonds: 7
MolWt: 465.46 Num_heavy_atoms: 33
TPSA: 152.24 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
AD42983
Formula: C7H9N3

Smiles:
Nc1ncc2c(n1)CCC2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.43
AlogP: 0.55 Num_rotatable_bonds: 0
MolWt: 135.17 Num_heavy_atoms: 10
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O