Glycoside
...
GD019885

Name:
TERNSTROSIDE B

Formula:
C22H26O10

Smiles:
O=C(Cc1ccc(O)cc1)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@@H](CO)[C@@H](O)[C@H]1O

Aglycone:
O=C(O)Cc1ccc(O)cc1.OCCc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.41
AlogP: -0.04 Num_rotatable_bonds: 8
MolWt: 450.44 Num_heavy_atoms: 32
TPSA: 166.14 NumAromaticRings: 2

Unique Aglycone
AD00128
Formula: C8H10O3

Smiles:
OCCc1ccc(O)c(O)c1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.25
AlogP: 0.63 Num_rotatable_bonds: 2
MolWt: 154.16 Num_heavy_atoms: 11
TPSA: 60.69 NumAromaticRings: 1
AD05358
Formula: C8H8O3

Smiles:
O=C(O)Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.02 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD00003

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