Glycoside
...
GD011131

Name:
None

Formula:
C41H49O13N7

Smiles:
CC(=O)N[C@@H]1[C@H](OC(C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)OCCNc2c3ccccc3nc3cccc([N+](=O)[O-])c23)C(N)=O)C(O)C(CO)O[C@H]1OCc1ccccc1

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O.OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 8 FractionCSP3: 0.41
AlogP: 1.08 Num_rotatable_bonds: 20
MolWt: 847.88 Num_heavy_atoms: 61
TPSA: 292.9 NumAromaticRings: 4

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD08532
Formula: C26H30O8N6

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O
HBA: 14 RingCount: 3
HBD: 6 FractionCSP3: 0.35
AlogP: 0.89 Num_rotatable_bonds: 13
MolWt: 554.56 Num_heavy_atoms: 40
TPSA: 215.88 NumAromaticRings: 3

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O