Glycoside
...
GD119177

Name:
2-[3a-({[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)-8-formyl-9-hydroxy-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysen-1-yl]propanoic acid

Formula:
C48H76O20

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C(C)C(=O)O)C4C4CCC6C7(C)CCC(O)C(C)(C=O)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C(=O)O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C12

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: -0.65 Num_rotatable_bonds: 11
MolWt: 973.12 Num_heavy_atoms: 68
TPSA: 329.12 NumAromaticRings: 0

Unique Aglycone
AD47707
Formula: C30H46O6

Smiles:
CC(C(=O)O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C12
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 5.41 Num_rotatable_bonds: 4
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 111.9 NumAromaticRings: 0

Sugarmoiety
SD00047

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