Glycoside
...
GD123525

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-hydroxy-4-(hydroxymethyl)-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:
C48H78O22S

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OS(=O)(=O)O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

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:
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: -1.06 Num_rotatable_bonds: 11
MolWt: 1039.2 Num_heavy_atoms: 71
TPSA: 358.58 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
SD00047

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