Glycoside
...
GD097649

Name:
None

Formula:
C20H27O11N3

Smiles:
COc1ncc(OC)c(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)n1

Aglycone:
COC(C)=O.COc1ncc(OC)c(N)n1

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.6
AlogP: -0.01 Num_rotatable_bonds: 9
MolWt: 485.45 Num_heavy_atoms: 34
TPSA: 170.7 NumAromaticRings: 1

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
AD25664
Formula: C6H9O2N3

Smiles:
COc1ncc(OC)c(N)n1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 0.08 Num_rotatable_bonds: 2
MolWt: 155.16 Num_heavy_atoms: 11
TPSA: 70.26 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O