Glycoside
...
GD035140

Name:
None

Formula:
C36H49O11N3

Smiles:
CCC[C@@H]1[C@@H]2CCc3cc(OCc4cn([C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)nn4)ccc3[C@H]2CC[C@@]1(C)CO

Aglycone:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)CO.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 1 FractionCSP3: 0.67
AlogP: 3.97 Num_rotatable_bonds: 12
MolWt: 699.8 Num_heavy_atoms: 50
TPSA: 174.6 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
AD22251
Formula: C22H30O2N3

Smiles:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)CO
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.64
AlogP: 4.75 Num_rotatable_bonds: 6
MolWt: 368.5 Num_heavy_atoms: 27
TPSA: 68.28 NumAromaticRings: 1

Sugarmoiety
SD00012

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