Glycoside
...
GD117930

Name:
(8a-{[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]carbonyl}-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxidanesulfonic acid

Formula:
C54H88O26S

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OCC2OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 14 FractionCSP3: 0.94
AlogP: -2.21 Num_rotatable_bonds: 14
MolWt: 1185.34 Num_heavy_atoms: 81
TPSA: 417.5 NumAromaticRings: 0

Unique Aglycone
AD01820
Formula: C30H48O6S

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.06 Num_rotatable_bonds: 3
MolWt: 536.78 Num_heavy_atoms: 37
TPSA: 100.9 NumAromaticRings: 0

Sugarmoiety
SD05157

OCC1OC(OCC2OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O