Glycoside
...
GD140153

Name:
Torososide B

Formula:
C40H52O25

Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

Aglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

Sugarmoiety:
OCC1OC(OCC2OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 14 FractionCSP3: 0.65
AlogP: -6.86 Num_rotatable_bonds: 13
MolWt: 932.83 Num_heavy_atoms: 65
TPSA: 400.43 NumAromaticRings: 2

Unique Aglycone
AD07716
Formula: C16H12O5

Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.19 Num_rotatable_bonds: 1
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 83.83 NumAromaticRings: 2

Sugarmoiety
SD05424

OCC1OC(OCC2OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O