Glycoside
...
GD000927

Name:
None

Formula:
C41H47O14N7

Smiles:
COC(=O)CCC(NC(=O)C(C)NC(=O)COC1C(O)C(OC(=O)CCNc2c3ccccc3nc3cccc([N+](=O)[O-])c23)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O

Aglycone:
COC(=O)CCC(NC(=O)C(C)NC(=O)CO)C(N)=O.O=C(O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 7 FractionCSP3: 0.39
AlogP: 1.22 Num_rotatable_bonds: 20
MolWt: 861.86 Num_heavy_atoms: 62
TPSA: 298.97 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
AD00970
Formula: C11H19O6N3

Smiles:
COC(=O)CCC(NC(=O)C(C)NC(=O)CO)C(N)=O
HBA: 9 RingCount: 0
HBD: 5 FractionCSP3: 0.64
AlogP: -2.59 Num_rotatable_bonds: 8
MolWt: 289.29 Num_heavy_atoms: 20
TPSA: 147.82 NumAromaticRings: 0
AD00971
Formula: C16H13O4N3

Smiles:
O=C(O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 3.18 Num_rotatable_bonds: 5
MolWt: 311.3 Num_heavy_atoms: 23
TPSA: 105.36 NumAromaticRings: 3

Sugarmoiety
SD00020

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