Glycoside
...
GD099502

Name:
None

Formula:
C22H29O10N

Smiles:
COc1ccc(CO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)cc1

Aglycone:
COC(C)=O.COc1ccc(CO)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.55
AlogP: 0.87 Num_rotatable_bonds: 9
MolWt: 467.47 Num_heavy_atoms: 33
TPSA: 135.69 NumAromaticRings: 1

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
AD00337
Formula: C8H10O2

Smiles:
COc1ccc(CO)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 138.17 Num_heavy_atoms: 10
TPSA: 29.46 NumAromaticRings: 1

Sugarmoiety
SD00131

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