Glycoside
...
GD117312

Name:
2-(8-{[3-(acetyloxy)-4,5-dihydroxy-6-{[(2-methylbut-3-en-2-yl)oxy]methyl}oxan-2-yl]oxy}-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradeca-1,6-dien-5-yl)propyl acetate

Formula:
C36H56O12

Smiles:
C=CC(C)(C)OCC1OC(OC2C3=CC(C(C)COC(C)=O)C(O)C3(C)C=C3C(COC)CCC3C(C)C2O)C(OC(C)=O)C(O)C1O

Aglycone:
C=CC(C)(C)OC.COCC1CCC2C1=CC1(C)C(=CC(C(C)COC(C)=O)C1O)C(O)C(O)C2C

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 4 FractionCSP3: 0.78
AlogP: 2.46 Num_rotatable_bonds: 12
MolWt: 680.83 Num_heavy_atoms: 48
TPSA: 170.44 NumAromaticRings: 0

Unique Aglycone
AD23211
Formula: C6H12O

Smiles:
C=CC(C)(C)OC
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 100.16 Num_heavy_atoms: 7
TPSA: 9.23 NumAromaticRings: 0
AD46756
Formula: C23H36O6

Smiles:
COCC1CCC2C1=CC1(C)C(=CC(C(C)COC(C)=O)C1O)C(O)C(O)C2C
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.78
AlogP: 2.08 Num_rotatable_bonds: 5
MolWt: 408.54 Num_heavy_atoms: 29
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00776

CC(=O)OC1C(O)OC(O)C(O)C1O