Glycoside
...
GD010675

Name:
None

Formula:
C28H27O9N

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc(O)c(-c3ccc(-c4ccccc4)cc3)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]ccc(O)c1-c1ccc(-c2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 1 FractionCSP3: 0.29
AlogP: 3.21 Num_rotatable_bonds: 7
MolWt: 521.52 Num_heavy_atoms: 38
TPSA: 130.36 NumAromaticRings: 3

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
AD08216
Formula: C17H13O2N

Smiles:
O=c1[nH]ccc(O)c1-c1ccc(-c2ccccc2)cc1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 3.41 Num_rotatable_bonds: 2
MolWt: 263.3 Num_heavy_atoms: 20
TPSA: 53.09 NumAromaticRings: 3

Sugarmoiety
SD00105

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