Glycoside
...
GD131416

Name:
Amaropanin

Formula:
C29H30O12

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)c2c(O)cccc2-c2cccc(O)c2)OC=C2C(=O)OCCC21

Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21.O=C(O)c1c(O)cccc1-c1cccc(O)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.38
AlogP: 1.35 Num_rotatable_bonds: 7
MolWt: 570.55 Num_heavy_atoms: 41
TPSA: 181.44 NumAromaticRings: 2

Unique Aglycone
AD06795
Formula: C10H12O4

Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.58 Num_rotatable_bonds: 1
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 0
AD53242
Formula: C13H10O4

Smiles:
O=C(O)c1c(O)cccc1-c1cccc(O)c1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 2.46 Num_rotatable_bonds: 2
MolWt: 230.22 Num_heavy_atoms: 17
TPSA: 77.76 NumAromaticRings: 2

Sugarmoiety
SD00003

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