Glycoside
...
GD120475

Name:
Sinefungin Va

Formula:
C23H37O7N9

Smiles:
CC(N=C(O)C(N=C(O)C(N)CCC(N)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(C)C)C(=O)O

Aglycone:
CC(N)CCC(N)C(O)=NC(C(O)=NC(C)C(=O)O)C(C)C.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 11 FractionCSP3: 0.65
AlogP: -0.74 Num_rotatable_bonds: 12
MolWt: 551.61 Num_heavy_atoms: 39
TPSA: 273.83 NumAromaticRings: 2

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD48406
Formula: C14H28O4N4

Smiles:
CC(N)CCC(N)C(O)=NC(C(O)=NC(C)C(=O)O)C(C)C
HBA: 8 RingCount: 0
HBD: 7 FractionCSP3: 0.79
AlogP: 0.85 Num_rotatable_bonds: 9
MolWt: 316.4 Num_heavy_atoms: 22
TPSA: 154.52 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O