Glycoside
...
GD027662

Name:
None

Formula:
C43H54O12N8

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O

Aglycone:
CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([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: 9 FractionCSP3: 0.44
AlogP: 1.43 Num_rotatable_bonds: 23
MolWt: 874.95 Num_heavy_atoms: 63
TPSA: 295.7 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
AD15393
Formula: C28H35O7N7

Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.39
AlogP: 1.24 Num_rotatable_bonds: 16
MolWt: 581.63 Num_heavy_atoms: 42
TPSA: 218.68 NumAromaticRings: 3

Sugarmoiety
SD00014

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