Glycoside
...
GD028026

Name:
None

Formula:
C57H71O15N7

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1.COC(=O)CCCCCCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 8 FractionCSP3: 0.46
AlogP: 5.63 Num_rotatable_bonds: 31
MolWt: 1094.23 Num_heavy_atoms: 79
TPSA: 318.94 NumAromaticRings: 5

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
AD01084
Formula: C18H25O6N3

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1
HBA: 9 RingCount: 1
HBD: 5 FractionCSP3: 0.44
AlogP: -0.63 Num_rotatable_bonds: 10
MolWt: 379.41 Num_heavy_atoms: 27
TPSA: 147.82 NumAromaticRings: 1
AD18350
Formula: C25H31O5N3

Smiles:
COC(=O)CCCCCCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 5.69 Num_rotatable_bonds: 13
MolWt: 453.54 Num_heavy_atoms: 33
TPSA: 114.33 NumAromaticRings: 3

Sugarmoiety
SD00020

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