Glycoside
...
GD150262

Name:
(8a-{[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]carbonyl}-4-formyl-4,6a,6b,11,11,14b-hexamethyl-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:
C48H76O22S

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

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

Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: -0.85 Num_rotatable_bonds: 12
MolWt: 1037.18 Num_heavy_atoms: 71
TPSA: 355.42 NumAromaticRings: 0

Unique Aglycone
AD60040
Formula: C30H46O7S

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C=O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.24 Num_rotatable_bonds: 4
MolWt: 550.76 Num_heavy_atoms: 38
TPSA: 117.97 NumAromaticRings: 0

Sugarmoiety
SD00602

OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O