Glycoside
...
GD022377

Name:
AZITHROMYCINARYLALKYL METHYL ESTER

Formula:
C53H91O15N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(NC(=O)CCCCCCC(=O)OC)cc3)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(NC(=O)CCCCCCC(=O)OC)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.83
AlogP: 4.92 Num_rotatable_bonds: 17
MolWt: 1010.32 Num_heavy_atoms: 71
TPSA: 235.48 NumAromaticRings: 1

Unique Aglycone
AD15175
Formula: C45H77O12N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(NC(=O)CCCCCCC(=O)OC)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 15 RingCount: 3
HBD: 6 FractionCSP3: 0.8
AlogP: 4.0 Num_rotatable_bonds: 14
MolWt: 852.12 Num_heavy_atoms: 60
TPSA: 207.79 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O