Glycoside
...
GD106870

Name:
None

Formula:
C23H27O12N

Smiles:
CC(=O)N[C@@H]1[C@H](OC(=O)c2ccccc2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)Oc1ccccc1C(=O)O.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.48
AlogP: 0.42 Num_rotatable_bonds: 8
MolWt: 509.46 Num_heavy_atoms: 36
TPSA: 169.83 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
AD16801
Formula: C9H8O4

Smiles:
CC(=O)Oc1ccccc1C(=O)O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.11
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 63.6 NumAromaticRings: 1

Sugarmoiety
SD00131

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