Glycoside
...
GD003865

Name:
Steviolbioside

Formula:
C32H50O13

Smiles:
C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3

Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.91
AlogP: -0.2 Num_rotatable_bonds: 7
MolWt: 642.74 Num_heavy_atoms: 45
TPSA: 215.83 NumAromaticRings: 0

Unique Aglycone
AD00064
Formula: C20H30O3

Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.85
AlogP: 4.16 Num_rotatable_bonds: 1
MolWt: 318.46 Num_heavy_atoms: 23
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00114

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O