Glycoside
...
GD110948

Name:
None

Formula:
C30H26O13NF

Smiles:
COc1cc(C(=O)O[C@H](C(=O)Nc2ccccc2F)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O

Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.Nc1ccccc1F

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 3.17 Num_rotatable_bonds: 12
MolWt: 627.53 Num_heavy_atoms: 45
TPSA: 190.06 NumAromaticRings: 3

Unique Aglycone
AD20224
Formula: C6H6NF

Smiles:
Nc1ccccc1F
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.41 Num_rotatable_bonds: 0
MolWt: 111.12 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1
AD44411
Formula: C10H10O4

Smiles:
COc1cc(C=O)ccc1OC(C)=O
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.2
AlogP: 1.43 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 52.6 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O