Glycoside
...
GD038947

Name:
(2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1h-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-d-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside

Formula:
C52H88O15N5FS

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)CCCc3cn([C@H](CF)[C@@H](O)c4ccc(S(C)(=O)=O)cc4)nn3)[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)CCCc3cn(C(CF)C(O)c4ccc(S(C)(=O)=O)cc4)nn3)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: 20 RingCount: 5
HBD: 6 FractionCSP3: 0.83
AlogP: 3.14 Num_rotatable_bonds: 16
MolWt: 1074.36 Num_heavy_atoms: 74
TPSA: 265.16 NumAromaticRings: 2

Unique Aglycone
AD24203
Formula: C44H74O12N5FS

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCc3cn(C(CF)C(O)c4ccc(S(C)(=O)=O)cc4)nn3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 17 RingCount: 4
HBD: 6 FractionCSP3: 0.8
AlogP: 2.22 Num_rotatable_bonds: 13
MolWt: 916.16 Num_heavy_atoms: 63
TPSA: 237.47 NumAromaticRings: 2

Sugarmoiety
SD00005

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