Glycoside
...
GD109237

Name:
None

Formula:
C31H40O11NF

Smiles:
CC(C)c1nc(C(C)C)c(CO[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Aglycone:
CC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.52
AlogP: 2.14 Num_rotatable_bonds: 13
MolWt: 621.66 Num_heavy_atoms: 44
TPSA: 207.1 NumAromaticRings: 2

Unique Aglycone
AD44533
Formula: C25H32O5NF

Smiles:
CC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.44
AlogP: 4.23 Num_rotatable_bonds: 10
MolWt: 445.53 Num_heavy_atoms: 32
TPSA: 110.88 NumAromaticRings: 2

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O