Glycoside
...
GD022621

Name:
None

Formula:
C61H110O8N4

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](Cn2cc(CCCc3ccccc3)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.Cn1cc(CCCc2ccccc2)nn1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.85
AlogP: 12.96 Num_rotatable_bonds: 49
MolWt: 1027.57 Num_heavy_atoms: 73
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
AD15315
Formula: C12H15N3

Smiles:
Cn1cc(CCCc2ccccc2)nn1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.33
AlogP: 1.99 Num_rotatable_bonds: 4
MolWt: 201.27 Num_heavy_atoms: 15
TPSA: 30.71 NumAromaticRings: 2

Sugarmoiety
SD00017

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