Glycoside
...
GD033518

Name:
None

Formula:
C25H29O10N

Smiles:
COc1c(C)cc(-c2c(O)ccn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2=O)cc1C

Aglycone:
COC(C)=O.COc1c(C)cc(-c2c(O)cc[nH]c2=O)cc1C

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 2.17 Num_rotatable_bonds: 7
MolWt: 503.5 Num_heavy_atoms: 36
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
AD09509
Formula: C14H15O3N

Smiles:
COc1c(C)cc(-c2c(O)cc[nH]c2=O)cc1C
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.21
AlogP: 2.37 Num_rotatable_bonds: 2
MolWt: 245.28 Num_heavy_atoms: 18
TPSA: 62.32 NumAromaticRings: 2

Sugarmoiety
SD00105

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