Glycoside
...
GD140329

Name:
Liposidolide A

Formula:
C78H138O30

Smiles:
CCCCCCCCCC=CC(O)CC(O)CC(=O)OC1CC(OC(CC)C(C)C(O)C(C)C(O)C(C)C2OC(=O)C=CC(C)C(O)CC(O)CCCC(O)CCC(C)C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3(O)OC(CC(O)CC(O)CC(O)CCCC(O)C4OC4C2C)CC(O)C3O)OC(C)C1OC

Aglycone:
CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C3OC3C1C)CC(O)C2O.CCCCCCCCCC=CC(O)CC(O)CC(=O)O

Sugarmoiety:
COC1C(O)CC(O)OC1C.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 5
HBD: 18 FractionCSP3: 0.91
AlogP: 1.99 Num_rotatable_bonds: 27
MolWt: 1555.93 Num_heavy_atoms: 108
TPSA: 501.72 NumAromaticRings: 0

Unique Aglycone
AD19776
Formula: C49H88O19

Smiles:
CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C3OC3C1C)CC(O)C2O
HBA: 19 RingCount: 3
HBD: 14 FractionCSP3: 0.92
AlogP: -0.12 Num_rotatable_bonds: 7
MolWt: 981.22 Num_heavy_atoms: 68
TPSA: 348.35 NumAromaticRings: 0
AD56583
Formula: C16H30O4

Smiles:
CCCCCCCCCC=CC(O)CC(O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.81
AlogP: 3.27 Num_rotatable_bonds: 13
MolWt: 286.41 Num_heavy_atoms: 20
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD08573

COC1C(O)CC(O)OC1C.OCC1OC(O)C(O)C(O)C1O