Glycoside
...
GD034747

Name:
None

Formula:
C56H105O11N5

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](Cn2cc(C(=O)NCC(=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)CNC(=O)c1cn(C)nn1

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

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 7 FractionCSP3: 0.91
AlogP: 9.69 Num_rotatable_bonds: 48
MolWt: 1024.48 Num_heavy_atoms: 72
TPSA: 234.82 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
AD22054
Formula: C7H10O3N4

Smiles:
COC(=O)CNC(=O)c1cn(C)nn1
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.43
AlogP: -1.28 Num_rotatable_bonds: 3
MolWt: 198.18 Num_heavy_atoms: 14
TPSA: 86.11 NumAromaticRings: 1

Sugarmoiety
SD00017

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