Glycoside
...
GD118781

Name:
Maduropeptinchromophore

Formula:
C40H39O11N2Cl

Smiles:
COc1ccc2c(Cl)c1OC1C#CC=C(C#CC3=CCC(O)C31OC1OCC(N=C(O)c3c(C)ccc(C)c3O)C(C)(O)C1O)C1CN1C(=O)CC2O

Aglycone:
COc1ccc2c(Cl)c1OC1C#CC=C(C#CC3=CCC(O)C31O)C1CN1C(=O)CC2O.Cc1ccc(C)c(C(=N)O)c1O

Sugarmoiety:
CC1(O)C(O)COC(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 6 FractionCSP3: 0.44
AlogP: 2.3 Num_rotatable_bonds: 5
MolWt: 747.2 Num_heavy_atoms: 53
TPSA: 190.74 NumAromaticRings: 2

Unique Aglycone
AD47523
Formula: C25H20O6NCl

Smiles:
COc1ccc2c(Cl)c1OC1C#CC=C(C#CC3=CCC(O)C31O)C1CN1C(=O)CC2O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.38
AlogP: 1.11 Num_rotatable_bonds: 1
MolWt: 453.88 Num_heavy_atoms: 32
TPSA: 99.23 NumAromaticRings: 1
AD47524
Formula: C9H11O2N

Smiles:
Cc1ccc(C)c(C(=N)O)c1O
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: 1.89 Num_rotatable_bonds: 1
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 64.31 NumAromaticRings: 1

Sugarmoiety
SD05301

CC1(O)C(O)COC(O)C1O