Glycoside
...
GD086020

Name:
None

Formula:
C22H23O7N

Smiles:
CO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1NC(C)=O

Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
COC1OC(O)C(O)C1NC(C)=O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 1 FractionCSP3: 0.32
AlogP: 1.95 Num_rotatable_bonds: 7
MolWt: 413.43 Num_heavy_atoms: 30
TPSA: 100.16 NumAromaticRings: 2

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD04066

COC1OC(O)C(O)C1NC(C)=O