Glycoside
...
GD107971

Name:
None

Formula:
C27H27O11N

Smiles:
COc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2N2C(=O)c3ccccc3C2=O)cc1

Aglycone:
COC(C)=O.COc1ccc(O)cc1.O=C1NC(=O)c2ccccc21

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.37
AlogP: 1.89 Num_rotatable_bonds: 8
MolWt: 541.51 Num_heavy_atoms: 39
TPSA: 143.97 NumAromaticRings: 2

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
AD01111
Formula: C7H8O2

Smiles:
COc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.4 Num_rotatable_bonds: 1
MolWt: 124.14 Num_heavy_atoms: 9
TPSA: 29.46 NumAromaticRings: 1
AD03368
Formula: C8H5O2N

Smiles:
O=C1NC(=O)c2ccccc21
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.57 Num_rotatable_bonds: 0
MolWt: 147.13 Num_heavy_atoms: 11
TPSA: 46.17 NumAromaticRings: 1

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O