Glycoside
...
GD006651

Name:
None

Formula:
C90H169O21N2P

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

Aglycone:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.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: 19.95 Num_rotatable_bonds: 78
MolWt: 1646.31 Num_heavy_atoms: 114
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
AD00506
Formula: C26H51O3N

Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 7.62 Num_rotatable_bonds: 23
MolWt: 425.7 Num_heavy_atoms: 30
TPSA: 69.39 NumAromaticRings: 0
AD04906
Formula: C26H50O4

Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 8.21 Num_rotatable_bonds: 23
MolWt: 426.68 Num_heavy_atoms: 30
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00070

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