Glycoside
...
GD000154

Name:
None

Formula:
C30H57O13NP2

Smiles:
CCCCCCCCCCCC(=O)N[C@@H]1[C@H](OP(=O)([O-])O)O[C@H](CO)[C@H](OP(=O)([O-])O)[C@H]1OC(=O)CCCCCCCCCCC

Aglycone:
CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(N)=O.O=P([O-])(O)O.O=P([O-])(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 1
HBD: 4 FractionCSP3: 0.93
AlogP: 4.27 Num_rotatable_bonds: 27
MolWt: 701.73 Num_heavy_atoms: 46
TPSA: 224.04 NumAromaticRings: 0

Unique Aglycone
AD00188
Formula: C12H24O2

Smiles:
CCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 37.3 NumAromaticRings: 0
AD00189
Formula: C12H25ON

Smiles:
CCCCCCCCCCCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 3.39 Num_rotatable_bonds: 10
MolWt: 199.34 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 0
AD00190
Formula: H2O4P

Smiles:
O=P([O-])(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -1.56 Num_rotatable_bonds: 0
MolWt: 96.99 Num_heavy_atoms: 5
TPSA: 80.59 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O