Glycoside
...
GD028167

Name:
None

Formula:
C27H30O14S

Smiles:
COC1=C(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2c(O)c(C)c(C)c(O)c2C1=O

Aglycone:
COC(C)=O.COC1=C(S)C(=O)c2c(O)c(C)c(C)c(O)c2C1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 1.77 Num_rotatable_bonds: 8
MolWt: 610.59 Num_heavy_atoms: 42
TPSA: 198.26 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD18438
Formula: C13H12O5S

Smiles:
COC1=C(S)C(=O)c2c(O)c(C)c(C)c(O)c2C1=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.88 Num_rotatable_bonds: 1
MolWt: 280.3 Num_heavy_atoms: 19
TPSA: 83.83 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O