Glycoside
...
GD008589

Name:
None

Formula:
C72H133O21N2P

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

Aglycone:
CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCC.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: 0.92
AlogP: 12.93 Num_rotatable_bonds: 60
MolWt: 1393.82 Num_heavy_atoms: 96
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
AD05332
Formula: C20H38O4

Smiles:
CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCC
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.9
AlogP: 5.87 Num_rotatable_bonds: 17
MolWt: 342.52 Num_heavy_atoms: 24
TPSA: 63.6 NumAromaticRings: 0
AD05333
Formula: C20H39O3N

Smiles:
CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCC
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.9
AlogP: 5.27 Num_rotatable_bonds: 17
MolWt: 341.54 Num_heavy_atoms: 24
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00070

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