Glycoside
...
GD009366

Name:
None

Formula:
C45H56O12N8

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O

Aglycone:
NC(=O)C(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)NC(=O)C1CCCN1C(=O)CO.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 8 FractionCSP3: 0.47
AlogP: 1.92 Num_rotatable_bonds: 22
MolWt: 900.99 Num_heavy_atoms: 65
TPSA: 286.91 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
AD07347
Formula: C30H37O7N7

Smiles:
NC(=O)C(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)NC(=O)C1CCCN1C(=O)CO
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.43
AlogP: 1.73 Num_rotatable_bonds: 15
MolWt: 607.67 Num_heavy_atoms: 44
TPSA: 209.89 NumAromaticRings: 3

Sugarmoiety
SD00014

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