Glycoside
...
GD039665

Name:
glcnac(beta1-4)-murnac(1,6-anhydro)-l-ala-gamma-d-glu-meso-a2pm-d-ala

Formula:
C37H59O20N7

Smiles:
CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@H]3CO[C@H](O3)[C@H](NC(C)=O)[C@H]2O[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:
CC(=O)NC1C2OCC(O2)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)O

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

Other Identifiers

Properties
HBA: 27 RingCount: 3
HBD: 14 FractionCSP3: 0.76
AlogP: -6.14 Num_rotatable_bonds: 24
MolWt: 921.91 Num_heavy_atoms: 64
TPSA: 419.36 NumAromaticRings: 0

Unique Aglycone
AD14904
Formula: C29H46O15N6

Smiles:
CC(=O)NC1C2OCC(O2)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)O
HBA: 21 RingCount: 2
HBD: 11 FractionCSP3: 0.72
AlogP: -4.11 Num_rotatable_bonds: 20
MolWt: 718.71 Num_heavy_atoms: 50
TPSA: 331.34 NumAromaticRings: 0

Sugarmoiety
SD00014

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