Glycoside
...
GD014008

Name:
None

Formula:
C43H55O12N9

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O

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

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 10 FractionCSP3: 0.44
AlogP: 0.24 Num_rotatable_bonds: 23
MolWt: 889.96 Num_heavy_atoms: 64
TPSA: 307.73 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
AD07507
Formula: C28H36O7N8

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O
HBA: 15 RingCount: 3
HBD: 8 FractionCSP3: 0.39
AlogP: 0.05 Num_rotatable_bonds: 16
MolWt: 596.65 Num_heavy_atoms: 43
TPSA: 230.71 NumAromaticRings: 3

Sugarmoiety
SD00014

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