Glycoside
...
GD137651

Name:
4',5-Dihydroxy-7-Methoxyisoflavone 3'-O-(3''-E-Cinnamoylglucoside)

Formula:
C31H28O12

Smiles:
COc1cc(O)c2c(=O)c(-c3ccc(O)c(OC4OC(CO)C(O)C(OC(=O)C=Cc5ccccc5)C4O)c3)coc2c1

Aglycone:
COc1cc(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc2c1.O=C(O)C=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.23
AlogP: 2.32 Num_rotatable_bonds: 8
MolWt: 592.55 Num_heavy_atoms: 43
TPSA: 185.35 NumAromaticRings: 4

Unique Aglycone
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD55600
Formula: C16H12O6

Smiles:
COc1cc(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc2c1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD00003

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