Glycoside
...
GD155536

Name:
Pradimicin Fb

Formula:
C35H36O15N2

Smiles:
CNC1C(C)OC(OC2c3cc(C)c(C(O)=NC(CO)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)C2O)C(O)C1O

Aglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=O

Sugarmoiety:
CNC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 10 FractionCSP3: 0.37
AlogP: 0.47 Num_rotatable_bonds: 8
MolWt: 724.67 Num_heavy_atoms: 52
TPSA: 285.36 NumAromaticRings: 3

Unique Aglycone
AD45850
Formula: C28H23O12N

Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=O
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.21
AlogP: 1.39 Num_rotatable_bonds: 5
MolWt: 565.49 Num_heavy_atoms: 41
TPSA: 234.64 NumAromaticRings: 3

Sugarmoiety
SD05548

CNC1C(C)OC(O)C(O)C1O