Glycoside
...
GD005521

Name:
None

Formula:
C52H61O16N7

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)C(O)C1OC(C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O.COC(=O)CCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(O)cc3c(=O)c12.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 9 FractionCSP3: 0.4
AlogP: 3.39 Num_rotatable_bonds: 26
MolWt: 1040.09 Num_heavy_atoms: 75
TPSA: 339.17 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
AD04686
Formula: C18H25O6N3

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O
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
AD04687
Formula: C20H21O6N3

Smiles:
COC(=O)CCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(O)cc3c(=O)c12
HBA: 9 RingCount: 3
HBD: 3 FractionCSP3: 0.3
AlogP: 3.44 Num_rotatable_bonds: 8
MolWt: 399.4 Num_heavy_atoms: 29
TPSA: 134.56 NumAromaticRings: 3

Sugarmoiety
SD00020

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