Glycoside
...
GD104015

Name:
None

Formula:
C23H27O10N

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CO)c3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCc1c[nH]c2ccccc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 1.39 Num_rotatable_bonds: 7
MolWt: 477.47 Num_heavy_atoms: 34
TPSA: 139.59 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
AD43953
Formula: C9H9ON

Smiles:
OCc1c[nH]c2ccccc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 1.66 Num_rotatable_bonds: 1
MolWt: 147.18 Num_heavy_atoms: 11
TPSA: 36.02 NumAromaticRings: 2

Sugarmoiety
SD00012

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