Glycoside
...
GD137145

Name:
7-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}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:
C59H96O28

Smiles:
CC(C)=CCCC(O)(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OCC(O)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)C4OC4OC(C)C(O)C(O)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:
CC1OC(OCC2OC(OC3C(O)COC(O)C3OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 16 FractionCSP3: 0.93
AlogP: -3.09 Num_rotatable_bonds: 17
MolWt: 1253.39 Num_heavy_atoms: 87
TPSA: 450.12 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
SD05882

CC1OC(OCC2OC(OC3C(O)COC(O)C3OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O