Glycoside
...
GD130436

Name:
Bobgunnioside B

Formula:
C45H60O27

Smiles:
CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 8
HBD: 15 FractionCSP3: 0.67
AlogP: -5.19 Num_rotatable_bonds: 12
MolWt: 1032.95 Num_heavy_atoms: 72
TPSA: 425.96 NumAromaticRings: 3

Unique Aglycone
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD07229

CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O