Glycoside
...
GD107927

Name:
None

Formula:
C25H29O12N

Smiles:
COc1ccc(-c2cc(CO[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1

Aglycone:
COC(C)=O.COc1ccc(-c2cc(CO)on2)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.48
AlogP: 1.95 Num_rotatable_bonds: 10
MolWt: 535.5 Num_heavy_atoms: 38
TPSA: 158.92 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
AD44370
Formula: C11H11O3N

Smiles:
COc1ccc(-c2cc(CO)on2)cc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: 1.84 Num_rotatable_bonds: 3
MolWt: 205.21 Num_heavy_atoms: 15
TPSA: 55.49 NumAromaticRings: 2

Sugarmoiety
SD00012

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