Glycoside
...
GD152354

Name:
[4,5-dihydroxy-2-({5-hydroxy-4-[(15-hydroxy-2,4,6,8,10,12,14-heptamethyltriacontanoyl)oxy]-6-(hydroxymethyl)-3-(octadecanoyloxy)oxan-2-yl}oxy)-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Formula:
C67H128O17S

Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)OC(CO)C(O)C1OC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(O)CCCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O=S(=O)(O)O

Sugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 7 FractionCSP3: 0.97
AlogP: 13.43 Num_rotatable_bonds: 52
MolWt: 1237.81 Num_heavy_atoms: 85
TPSA: 265.27 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD02455
Formula: C18H36O2

Smiles:
CCCCCCCCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 6.33 Num_rotatable_bonds: 16
MolWt: 284.48 Num_heavy_atoms: 20
TPSA: 37.3 NumAromaticRings: 0
AD50796
Formula: C37H74O3

Smiles:
CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.97
AlogP: 11.71 Num_rotatable_bonds: 28
MolWt: 567.0 Num_heavy_atoms: 40
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD01244

OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O