Glycoside
...
GD135717

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

Formula:
C48H78O22S

Smiles:
CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COS(=O)(=O)O)C5CCC43C)C2C1C

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COS(=O)(=O)O)C5CCC43C)C2C1C

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.94
AlogP: -1.21 Num_rotatable_bonds: 11
MolWt: 1039.2 Num_heavy_atoms: 71
TPSA: 358.58 NumAromaticRings: 0

Unique Aglycone
AD54872
Formula: C30H48O8S

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COS(=O)(=O)O)C5CCC43C)C2C1C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 4.86 Num_rotatable_bonds: 4
MolWt: 568.77 Num_heavy_atoms: 39
TPSA: 141.36 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O