Glycoside
...
GD131208

Name:
[4,5-dihydroxy-2-({5-hydroxy-3-[(11-hydroxy-2,4,6,8,10-pentamethyloctacosanoyl)oxy]-6-(hydroxymethyl)-4-(octadecanoyloxy)oxan-2-yl}oxy)-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Formula:
C63H120O17S

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

Aglycone:
CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)C(=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: 12.16 Num_rotatable_bonds: 50
MolWt: 1181.7 Num_heavy_atoms: 81
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
AD49077
Formula: C33H66O3

Smiles:
CCCCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.97
AlogP: 10.43 Num_rotatable_bonds: 26
MolWt: 510.89 Num_heavy_atoms: 36
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD01244

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