Glycoside
...
GD028580

Name:
None

Formula:
C58H104O8N4

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](Cn2nncc2-c2ccccc2)[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.Cn1nncc1-c1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.84
AlogP: 12.45 Num_rotatable_bonds: 46
MolWt: 985.49 Num_heavy_atoms: 70
TPSA: 179.42 NumAromaticRings: 2

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
AD08638
Formula: C9H9N3

Smiles:
Cn1nncc1-c1ccccc1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.11
AlogP: 1.48 Num_rotatable_bonds: 1
MolWt: 159.19 Num_heavy_atoms: 12
TPSA: 30.71 NumAromaticRings: 2

Sugarmoiety
SD00017

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