Glycoside
...
GD019889

Name:
None

Formula:
C45H58O12N8

Smiles:
CC(=O)N[C@H]1[C@H](OC(C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)NCCCCNc2c3ccccc3nc3cccc([N+](=O)[O-])c23)C(N)=O)C(C)C)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1

Aglycone:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O)C(C)C.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 9 FractionCSP3: 0.47
AlogP: 2.07 Num_rotatable_bonds: 23
MolWt: 903.0 Num_heavy_atoms: 65
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
AD07369
Formula: C30H39O7N7

Smiles:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O)C(C)C
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: 1.88 Num_rotatable_bonds: 16
MolWt: 609.68 Num_heavy_atoms: 44
TPSA: 218.68 NumAromaticRings: 3

Sugarmoiety
SD00014

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