Glycoside
...
GD022597

Name:
None

Formula:
C42H53O12N9

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

Aglycone:
CC(NC(=O)CO)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: 0.43
AlogP: -0.15 Num_rotatable_bonds: 23
MolWt: 875.94 Num_heavy_atoms: 63
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
AD15300
Formula: C27H34O7N8

Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O
HBA: 15 RingCount: 3
HBD: 8 FractionCSP3: 0.37
AlogP: -0.34 Num_rotatable_bonds: 16
MolWt: 582.62 Num_heavy_atoms: 42
TPSA: 230.71 NumAromaticRings: 3

Sugarmoiety
SD00014

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