Glycoside
...
GD005655

Name:
None

Formula:
C49H81O17N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@]1(C)O

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

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

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 7 FractionCSP3: 0.8
AlogP: 2.55 Num_rotatable_bonds: 15
MolWt: 1012.21 Num_heavy_atoms: 71
TPSA: 296.28 NumAromaticRings: 1

Unique Aglycone
AD00177
Formula: C29H54O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.93
AlogP: 0.16 Num_rotatable_bonds: 4
MolWt: 590.76 Num_heavy_atoms: 41
TPSA: 178.25 NumAromaticRings: 0
AD00390
Formula: C12H15O5N3

Smiles:
CC(NCCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1
HBA: 8 RingCount: 1
HBD: 3 FractionCSP3: 0.33
AlogP: 0.99 Num_rotatable_bonds: 7
MolWt: 281.27 Num_heavy_atoms: 20
TPSA: 121.57 NumAromaticRings: 1

Sugarmoiety
SD00005

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