Glycoside
...
GD035504

Name:
None

Formula:
C29H31O12N5F2

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cc(CO[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4NC(C)=O)nn3)c(F)c21

Aglycone:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cc(CO)nn3)c(F)c21.COC(C)=O

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 2 FractionCSP3: 0.45
AlogP: 0.75 Num_rotatable_bonds: 11
MolWt: 679.59 Num_heavy_atoms: 48
TPSA: 216.47 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD05404
Formula: C15H12O4N4F2

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cc(CO)nn3)c(F)c21
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 1.07 Num_rotatable_bonds: 4
MolWt: 350.28 Num_heavy_atoms: 25
TPSA: 110.24 NumAromaticRings: 3

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O