Glycoside
...
GD146656

Name:
[2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-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:
C42H68O18S

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

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

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.93
AlogP: 0.09 Num_rotatable_bonds: 9
MolWt: 893.05 Num_heavy_atoms: 61
TPSA: 299.66 NumAromaticRings: 0

Unique Aglycone
AD49862
Formula: C30H48O8S

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.0 Num_rotatable_bonds: 4
MolWt: 568.77 Num_heavy_atoms: 39
TPSA: 141.36 NumAromaticRings: 0

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O