Glycoside
...
GD107812

Name:
None

Formula:
C23H27O11N3

Smiles:
COc1ccc(-c2nnc(N[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)o2)cc1

Aglycone:
COC(C)=O.COc1ccc(-c2nnc(N)o2)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 1.24 Num_rotatable_bonds: 9
MolWt: 521.48 Num_heavy_atoms: 37
TPSA: 174.61 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
AD44350
Formula: C9H9O2N3

Smiles:
COc1ccc(-c2nnc(N)o2)cc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 1.33 Num_rotatable_bonds: 2
MolWt: 191.19 Num_heavy_atoms: 14
TPSA: 74.17 NumAromaticRings: 2

Sugarmoiety
SD00012

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