Glycoside
...
GD098417

Name:
None

Formula:
C20H29O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC(C)(C)CCO)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)(CCO)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: 3 FractionCSP3: 0.65
AlogP: -0.57 Num_rotatable_bonds: 9
MolWt: 471.46 Num_heavy_atoms: 33
TPSA: 175.25 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
AD41857
Formula: C9H15O3N3

Smiles:
CC(C)(CCO)Nc1c[nH]c(=O)[nH]c1=O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.56
AlogP: -0.36 Num_rotatable_bonds: 4
MolWt: 213.24 Num_heavy_atoms: 15
TPSA: 97.98 NumAromaticRings: 1

Sugarmoiety
SD00105

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