Glycoside
...
GD019277

Name:
None

Formula:
C31H35O14N

Smiles:
COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2O)c1

Aglycone:
COC(C)=O.COc1cccc(C2Oc3ccc(OC)cc3C(=NO)C2O)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 1 FractionCSP3: 0.45
AlogP: 2.0 Num_rotatable_bonds: 10
MolWt: 645.61 Num_heavy_atoms: 46
TPSA: 183.94 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
AD13480
Formula: C17H17O5N

Smiles:
COc1cccc(C2Oc3ccc(OC)cc3C(=NO)C2O)c1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.24
AlogP: 2.38 Num_rotatable_bonds: 3
MolWt: 315.32 Num_heavy_atoms: 23
TPSA: 80.51 NumAromaticRings: 2

Sugarmoiety
SD00012

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