Glycoside
...
GD013448

Name:
None

Formula:
C26H30O10N2

Smiles:
COc1ccc2c(c1)CCc1cnn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c1-2

Aglycone:
COC(C)=O.COc1ccc2c(c1)CCC1=C2[N]N=C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.5
AlogP: 1.91 Num_rotatable_bonds: 7
MolWt: 530.53 Num_heavy_atoms: 38
TPSA: 141.48 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
AD06318
Formula: C12H11ON2

Smiles:
COc1ccc2c(c1)CCC1=C2[N]N=C1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.25
AlogP: 1.96 Num_rotatable_bonds: 1
MolWt: 199.23 Num_heavy_atoms: 15
TPSA: 35.69 NumAromaticRings: 1

Sugarmoiety
SD00012

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