Glycoside
...
GD117802

Name:
5-[(9-hydroxy-3,7-dimethyl-2-oxonona-3,7-dien-1-yl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbaldehyde

Formula:
C27H40O11

Smiles:
CC(=CCO)CCC=C(C)C(=O)COC1CC(C)C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C=O)C12

Aglycone:
CC(=CCO)CCC=C(C)C(=O)COC1CC(C)C2C(O)OC=C(C=O)C12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.7
AlogP: 0.13 Num_rotatable_bonds: 12
MolWt: 540.61 Num_heavy_atoms: 38
TPSA: 172.21 NumAromaticRings: 0

Unique Aglycone
AD47018
Formula: C21H30O6

Smiles:
CC(=CCO)CCC=C(C)C(=O)COC1CC(C)C2C(O)OC=C(C=O)C12
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.62
AlogP: 2.31 Num_rotatable_bonds: 9
MolWt: 378.47 Num_heavy_atoms: 27
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O