Glycoside
...
GD027941

Name:
None

Formula:
C48H76O16N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2C[C@@](C)(OC)[C@H](OC(=O)CC(=O)OCc3ccc(N=[N+]=[N-])cc3)[C@H](C)O2)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.[N-]=[N+]=Nc1ccc(COC(=O)CC(=O)O)cc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 3 FractionCSP3: 0.79
AlogP: 5.07 Num_rotatable_bonds: 14
MolWt: 965.15 Num_heavy_atoms: 68
TPSA: 264.04 NumAromaticRings: 1

Unique Aglycone
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD18309
Formula: C10H9O4N3

Smiles:
[N-]=[N+]=Nc1ccc(COC(=O)CC(=O)O)cc1
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.2
AlogP: 2.15 Num_rotatable_bonds: 5
MolWt: 235.2 Num_heavy_atoms: 17
TPSA: 112.36 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O