Glycoside
...
GD028933

Name:
None

Formula:
C57H107O12N5

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](Cn2cc(C(=O)N[C@H](CO)C(=O)OC)nn2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.COC(=O)C(CO)NC(=O)c1cn(C)nn1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 8 FractionCSP3: 0.91
AlogP: 9.05 Num_rotatable_bonds: 49
MolWt: 1054.51 Num_heavy_atoms: 74
TPSA: 255.05 NumAromaticRings: 1

Unique Aglycone
AD00325
Formula: C44H89O4N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC
HBA: 5 RingCount: 0
HBD: 4 FractionCSP3: 0.98
AlogP: 12.66 Num_rotatable_bonds: 41
MolWt: 696.2 Num_heavy_atoms: 49
TPSA: 89.79 NumAromaticRings: 0
AD18865
Formula: C8H12O4N4

Smiles:
COC(=O)C(CO)NC(=O)c1cn(C)nn1
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: -1.92 Num_rotatable_bonds: 4
MolWt: 228.21 Num_heavy_atoms: 16
TPSA: 106.34 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O