Glycoside
...
GD029976

Name:
None

Formula:
C27H27O12N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(COC3=CC(=O)c4ccccc4C3=O)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C=C(OCC2=C[N]N=N2)C(=O)c2ccccc21

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 0 FractionCSP3: 0.41
AlogP: 1.01 Num_rotatable_bonds: 9
MolWt: 585.52 Num_heavy_atoms: 42
TPSA: 188.51 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
AD17754
Formula: C13H8O3N3

Smiles:
O=C1C=C(OCC2=C[N]N=N2)C(=O)c2ccccc21
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.08
AlogP: 1.79 Num_rotatable_bonds: 3
MolWt: 254.22 Num_heavy_atoms: 19
TPSA: 82.19 NumAromaticRings: 1

Sugarmoiety
SD00012

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