Glycoside
...
GD036362

Name:
None

Formula:
C60H114O11N6

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 9 FractionCSP3: 0.92
AlogP: 10.18 Num_rotatable_bonds: 52
MolWt: 1095.6 Num_heavy_atoms: 77
TPSA: 260.84 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
AD22942
Formula: C11H19O3N5

Smiles:
COC(=O)C(CCCCN)NC(=O)c1cn(C)nn1
HBA: 8 RingCount: 1
HBD: 3 FractionCSP3: 0.64
AlogP: -0.78 Num_rotatable_bonds: 7
MolWt: 269.31 Num_heavy_atoms: 19
TPSA: 112.13 NumAromaticRings: 1

Sugarmoiety
SD00017

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