Glycoside
...
GD154756

Name:
Symplolignanoside A

Formula:
C31H42O15

Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O

Aglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O

Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 8 FractionCSP3: 0.61
AlogP: -1.52 Num_rotatable_bonds: 13
MolWt: 654.66 Num_heavy_atoms: 46
TPSA: 226.45 NumAromaticRings: 2

Unique Aglycone
AD01856
Formula: C20H24O6

Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 2.54 Num_rotatable_bonds: 7
MolWt: 360.41 Num_heavy_atoms: 26
TPSA: 88.38 NumAromaticRings: 2

Sugarmoiety
SD00294

OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O