Glycoside
...
GD139447

Name:
2-[4-hydroxy-3-(12-hydroxy-4,8,12-trimethyl-11-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-3,7-dien-1-yl)-3,4-dimethyl-2-(3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl)cyclohexylidene]propanal

Formula:
C48H80O21

Smiles:
CC(=CCC(OC1OC(CO)C(O)C(O)C1O)C(C)=CCCC1(C)C(CCCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(=C(C)C=O)CCC1(C)O)CCC(=O)C(C)(C)O

Aglycone:
CC(=CCC(O)C(C)=CCCC1(C)C(CCCO)C(=C(C)C=O)CCC1(C)O)CCC(=O)C(C)(C)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 13 FractionCSP3: 0.83
AlogP: -1.54 Num_rotatable_bonds: 23
MolWt: 993.15 Num_heavy_atoms: 69
TPSA: 352.51 NumAromaticRings: 0

Unique Aglycone
AD54405
Formula: C30H50O6

Smiles:
CC(=CCC(O)C(C)=CCCC1(C)C(CCCO)C(=C(C)C=O)CCC1(C)O)CCC(=O)C(C)(C)O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.73
AlogP: 4.99 Num_rotatable_bonds: 14
MolWt: 506.72 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD00518

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O