Glycoside
...
GD158271

Name:
7-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-1-(2-hydroxy-6-methyl-1-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-3a,3b,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylic acid

Formula:
C47H76O20

Smiles:
CC(C)=CCCC(O)(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(C)(C(=O)O)C3CCC12C

Aglycone:
CC(C)=CCCC(O)(C(=O)O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C(=O)O)C3CCC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 12 FractionCSP3: 0.91
AlogP: -0.79 Num_rotatable_bonds: 13
MolWt: 961.11 Num_heavy_atoms: 67
TPSA: 332.28 NumAromaticRings: 0

Unique Aglycone
AD55424
Formula: C30H48O6

Smiles:
CC(C)=CCCC(O)(C(=O)O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C(=O)O)C3CCC12C
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.87
AlogP: 5.66 Num_rotatable_bonds: 6
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD01281

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O