Glycoside
...
GD148441

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

Formula:
C27H32O12

Smiles:
O=C(CC(O)C=Cc1ccccc1)OCC1=CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12

Aglycone:
O=C(CC(O)C=Cc1ccccc1)OCC1=CCC2C(C(=O)O)=COC(O)C12

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.48
AlogP: -0.3 Num_rotatable_bonds: 10
MolWt: 548.54 Num_heavy_atoms: 39
TPSA: 192.44 NumAromaticRings: 1

Unique Aglycone
AD59401
Formula: C21H22O7

Smiles:
O=C(CC(O)C=Cc1ccccc1)OCC1=CCC2C(C(=O)O)=COC(O)C12
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.33
AlogP: 1.87 Num_rotatable_bonds: 7
MolWt: 386.4 Num_heavy_atoms: 28
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00003

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