Glycoside
...
GD024763

Name:
None

Formula:
C25H30O11N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3nnc(C(C)C)o3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)c1nnc(-c2ccc(O)cc2)o1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.52
AlogP: 2.32 Num_rotatable_bonds: 9
MolWt: 534.52 Num_heavy_atoms: 38
TPSA: 162.58 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
AD16496
Formula: C11H12O2N2

Smiles:
CC(C)c1nnc(-c2ccc(O)cc2)o1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.27
AlogP: 2.57 Num_rotatable_bonds: 2
MolWt: 204.23 Num_heavy_atoms: 15
TPSA: 59.15 NumAromaticRings: 2

Sugarmoiety
SD00012

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