Glycoside
...
GD025586

Name:
None

Formula:
C44H55O12N9

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)N[C@H](CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O

Aglycone:
NC(=O)C(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)NC(=O)C1CCCN1C(=O)CO.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 9 FractionCSP3: 0.45
AlogP: 0.34 Num_rotatable_bonds: 22
MolWt: 901.97 Num_heavy_atoms: 65
TPSA: 298.94 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
AD16944
Formula: C29H36O7N8

Smiles:
NC(=O)C(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)NC(=O)C1CCCN1C(=O)CO
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.41
AlogP: 0.15 Num_rotatable_bonds: 15
MolWt: 608.66 Num_heavy_atoms: 44
TPSA: 221.92 NumAromaticRings: 3

Sugarmoiety
SD00014

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