Glycoside
...
GD095518

Name:
None

Formula:
C20H32O9N5

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

Aglycone:
CN(CC[NH3+])CCNc1c[nH]c(=O)[nH]c1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 5 FractionCSP3: 0.65
AlogP: -2.55 Num_rotatable_bonds: 11
MolWt: 486.5 Num_heavy_atoms: 34
TPSA: 185.9 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
AD40757
Formula: C9H18O2N5

Smiles:
CN(CC[NH3+])CCNc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 1
HBD: 6 FractionCSP3: 0.56
AlogP: -2.35 Num_rotatable_bonds: 6
MolWt: 228.28 Num_heavy_atoms: 16
TPSA: 108.63 NumAromaticRings: 1

Sugarmoiety
SD00105

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