Glycoside
...
GD035518

Name:
None

Formula:
C20H25O6NS

Smiles:
CCn1cc(-c2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(C)c2)ccc1=O

Aglycone:
CCn1cc(-c2ccc(S)c(C)c2)ccc1=O

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: 0.74 Num_rotatable_bonds: 5
MolWt: 407.49 Num_heavy_atoms: 28
TPSA: 112.15 NumAromaticRings: 2

Unique Aglycone
AD22464
Formula: C14H15ONS

Smiles:
CCn1cc(-c2ccc(S)c(C)c2)ccc1=O
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.21
AlogP: 3.13 Num_rotatable_bonds: 2
MolWt: 245.35 Num_heavy_atoms: 17
TPSA: 22.0 NumAromaticRings: 2

Sugarmoiety
SD00003

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