Glycoside
...
GD121873

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

Formula:
C61H116O17S

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

Aglycone:
CCCCCCCCCCCCCCCC(=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: 11.38 Num_rotatable_bonds: 48
MolWt: 1153.65 Num_heavy_atoms: 79
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
AD00263
Formula: C16H32O2

Smiles:
CCCCCCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 5.55 Num_rotatable_bonds: 14
MolWt: 256.43 Num_heavy_atoms: 18
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