Glycoside
...
GD000190

Name:
None

Formula:
C36H48O11N4

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)C=NO

Aglycone:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)C=NO.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 1 FractionCSP3: 0.64
AlogP: 4.44 Num_rotatable_bonds: 12
MolWt: 712.8 Num_heavy_atoms: 51
TPSA: 186.96 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
AD00228
Formula: C22H29O2N4

Smiles:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)C=NO
HBA: 6 RingCount: 4
HBD: 1 FractionCSP3: 0.59
AlogP: 5.21 Num_rotatable_bonds: 6
MolWt: 381.5 Num_heavy_atoms: 28
TPSA: 80.64 NumAromaticRings: 1

Sugarmoiety
SD00012

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