Glycoside
...
GD120676

Name:
Truncatulin A

Formula:
C37H42O19

Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OCC3(O)COC(OC4C(Oc5ccc(O)c(C(=O)O)c5)OCC(O)C4O)C3O)cc2OC)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(OC(CO)C(O)c2ccc(O)c(OC)c2)c(OC)c1.O=C(O)c1cc(O)ccc1O

Sugarmoiety:
OC1COC(O)C(OC2OCC(O)(O)C2O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 9 FractionCSP3: 0.41
AlogP: -0.17 Num_rotatable_bonds: 16
MolWt: 790.72 Num_heavy_atoms: 56
TPSA: 290.05 NumAromaticRings: 3

Unique Aglycone
AD05966
Formula: C7H6O4

Smiles:
O=C(O)c1cc(O)ccc1O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.8 Num_rotatable_bonds: 1
MolWt: 154.12 Num_heavy_atoms: 11
TPSA: 77.76 NumAromaticRings: 1
AD08715
Formula: C21H24O8

Smiles:
COC(=O)C=Cc1ccc(OC(CO)C(O)c2ccc(O)c(OC)c2)c(OC)c1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.29
AlogP: 2.07 Num_rotatable_bonds: 9
MolWt: 404.42 Num_heavy_atoms: 29
TPSA: 114.68 NumAromaticRings: 2

Sugarmoiety
SD04308

OC1COC(O)C(OC2OCC(O)(O)C2O)C1O