Glycoside
...
GD013343

Name:
None

Formula:
C84H157O21N2P

Smiles:
CCCCCCCCCCC[C@@H](CC(=O)NC1C(OCC2OC(O)C(NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)C2O)OC(CO)C(OP(=O)(O)O)C1OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

Aglycone:
CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC.O=P(O)(O)O

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 2
HBD: 8 FractionCSP3: 0.93
AlogP: 17.61 Num_rotatable_bonds: 72
MolWt: 1562.15 Num_heavy_atoms: 108
TPSA: 338.77 NumAromaticRings: 0

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
AD01213
Formula: C24H46O4

Smiles:
CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 7.43 Num_rotatable_bonds: 21
MolWt: 398.63 Num_heavy_atoms: 28
TPSA: 63.6 NumAromaticRings: 0
AD01214
Formula: C24H47O3N

Smiles:
CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 6.84 Num_rotatable_bonds: 21
MolWt: 397.64 Num_heavy_atoms: 28
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O