Glycoside
...
GD139388

Name:
Undecaprenyldiphospho-N-Acetyl-(N-Acetylglucosaminyl)Muramoyl-L-Alanyl-D-Gamma-Glutamyl-Meso-2,6-Diaminopimeloyl-D-Alanyl-D-Alanine

Formula:
C95H156O28N8P2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O)C1N=C(C)O

Aglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 2
HBD: 18 FractionCSP3: 0.66
AlogP: 17.69 Num_rotatable_bonds: 64
MolWt: 1920.27 Num_heavy_atoms: 133
TPSA: 586.18 NumAromaticRings: 0

Unique Aglycone
AD24454
Formula: C55H92O7P2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: 18.44 Num_rotatable_bonds: 35
MolWt: 927.28 Num_heavy_atoms: 64
TPSA: 113.29 NumAromaticRings: 0
AD51692
Formula: C24H40O12N6

Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O
HBA: 18 RingCount: 0
HBD: 11 FractionCSP3: 0.67
AlogP: 0.58 Num_rotatable_bonds: 19
MolWt: 604.61 Num_heavy_atoms: 42
TPSA: 321.1 NumAromaticRings: 0

Sugarmoiety
SD04412

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O