Glycoside
...
GD144722

Name:
7-methyl-7-[(3-phenylprop-2-enoyl)oxy]-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C33H38O15

Smiles:
CC(=O)OCC1OC(OC2OC=C(C(=O)O)C3CCC(C)(OC(=O)C=Cc4ccccc4)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC1(OC(=O)C=Cc2ccccc2)CCC2C(C(=O)O)=COC(O)C21.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 1 FractionCSP3: 0.52
AlogP: 2.45 Num_rotatable_bonds: 11
MolWt: 674.65 Num_heavy_atoms: 48
TPSA: 196.49 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD03228
Formula: C19H20O6

Smiles:
CC1(OC(=O)C=Cc2ccccc2)CCC2C(C(=O)O)=COC(O)C21
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.37
AlogP: 2.34 Num_rotatable_bonds: 4
MolWt: 344.36 Num_heavy_atoms: 25
TPSA: 93.06 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O