Glycoside
...
GD149516

Name:
[8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-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:
C47H76O21S

Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OCC(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: -0.42 Num_rotatable_bonds: 10
MolWt: 1009.17 Num_heavy_atoms: 69
TPSA: 338.35 NumAromaticRings: 0

Unique Aglycone
AD54195
Formula: C30H48O7S

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.03 Num_rotatable_bonds: 3
MolWt: 552.77 Num_heavy_atoms: 38
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD07904

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O