Glycoside
...
GD131377

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

Formula:
C59H96O29

Smiles:
C=C(C)C(O)CCC(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:
C=C(C)C(O)CCC(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: 29 RingCount: 9
HBD: 17 FractionCSP3: 0.93
AlogP: -4.12 Num_rotatable_bonds: 18
MolWt: 1269.39 Num_heavy_atoms: 88
TPSA: 470.35 NumAromaticRings: 0

Unique Aglycone
AD53231
Formula: C30H48O7

Smiles:
C=C(C)C(O)CCC(O)(C(=O)O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C(=O)O)C3CCC12C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 4.63 Num_rotatable_bonds: 7
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 135.29 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