Glycoside
...
GD028976

Name:
(2R,3R,4S,5S,6R)-2-(((2E,4R,5R,6E,8E,11E)-13-(4-Hydroxy-5,6-Dimethoxy-3-Methylpyridin-2-Yl)-3,5,7,11-Tetramethyltrideca-2,6,8,11-Tetraen-4-Yl)Oxy)-6-((((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)Methyl)Tetrahydro-2H-Pyran-3,4,5-Triol

Formula:
C37H57O14N

Smiles:
CC=C(C)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C

Aglycone:
CC=C(C)C(O)C(C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: 1.11 Num_rotatable_bonds: 16
MolWt: 739.86 Num_heavy_atoms: 52
TPSA: 230.11 NumAromaticRings: 1

Unique Aglycone
AD18886
Formula: C25H37O4N

Smiles:
CC=C(C)C(O)C(C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.48
AlogP: 5.46 Num_rotatable_bonds: 10
MolWt: 415.57 Num_heavy_atoms: 30
TPSA: 71.81 NumAromaticRings: 1

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O