Glycoside
...
GD098955

Name:
None

Formula:
C21H33O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N(CCC[NH3+])C(C)C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)N(CCC[NH3+])c1c[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: 4 FractionCSP3: 0.67
AlogP: -1.29 Num_rotatable_bonds: 10
MolWt: 485.51 Num_heavy_atoms: 34
TPSA: 173.87 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
AD42117
Formula: C10H19O2N4

Smiles:
CC(C)N(CCC[NH3+])c1c[nH]c(=O)[nH]c1=O
HBA: 6 RingCount: 1
HBD: 5 FractionCSP3: 0.6
AlogP: -1.09 Num_rotatable_bonds: 5
MolWt: 227.29 Num_heavy_atoms: 16
TPSA: 96.6 NumAromaticRings: 1

Sugarmoiety
SD00105

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