Glycoside
...
GD018422

Name:
None

Formula:
C33H58O18S4

Smiles:
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)CC[C@@]4(C)[C@H]3CC[C@@]12C

Aglycone:
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 4.6 Num_rotatable_bonds: 16
MolWt: 871.08 Num_heavy_atoms: 55
TPSA: 272.86 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
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD02694
Formula: C27H48O

Smiles:
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 1.0
AlogP: 7.47 Num_rotatable_bonds: 5
MolWt: 388.68 Num_heavy_atoms: 28
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O