Glycoside
...
GD113431

Name:
None

Formula:
C38H55O9F5S

Smiles:
C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4C[C@@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O

Aglycone:
CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.82
AlogP: 6.25 Num_rotatable_bonds: 17
MolWt: 782.91 Num_heavy_atoms: 53
TPSA: 153.75 NumAromaticRings: 1

Unique Aglycone
AD44817
Formula: C32H47O3F5S

Smiles:
CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.81
AlogP: 8.68 Num_rotatable_bonds: 14
MolWt: 606.78 Num_heavy_atoms: 41
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O