Glycoside
...
GD139014

Name:
Pyloricidin A2

Formula:
C32H53O10N5

Smiles:
CC(C)CC(N=C(O)C(CC(C)C)N=C(O)C(N)C(C)C)C(O)=NC(CO)C(O)C(O)C(O)C(O)=NC(CC(=O)O)c1ccccc1

Aglycone:
CC(C)CC(N=C(O)C(CC(C)C)N=C(O)C(N)C(C)C)C(O)=NCCO.NC(CC(=O)O)c1ccccc1

Sugarmoiety:
O=C(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 15 RingCount: 1
HBD: 11 FractionCSP3: 0.66
AlogP: 2.28 Num_rotatable_bonds: 20
MolWt: 667.8 Num_heavy_atoms: 47
TPSA: 274.6 NumAromaticRings: 1

Unique Aglycone
AD49768
Formula: C9H11O2N

Smiles:
NC(CC(=O)O)c1ccccc1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: 1.16 Num_rotatable_bonds: 3
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 63.32 NumAromaticRings: 1
AD56071
Formula: C19H38O4N4

Smiles:
CC(C)CC(N=C(O)C(CC(C)C)N=C(O)C(N)C(C)C)C(O)=NCCO
HBA: 8 RingCount: 0
HBD: 6 FractionCSP3: 0.84
AlogP: 2.66 Num_rotatable_bonds: 12
MolWt: 386.54 Num_heavy_atoms: 27
TPSA: 144.02 NumAromaticRings: 0

Sugarmoiety
SD01238

O=C(O)C(O)C(O)C(O)O