Glycoside
...
GD008456

Name:
None

Formula:
C30H34O10S

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCc2ccc(COc3cc(C)cc(CS(=O)(=O)c4ccccc4)c3)cc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(C)=O.Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CO)cc2)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.37
AlogP: 2.44 Num_rotatable_bonds: 11
MolWt: 586.66 Num_heavy_atoms: 41
TPSA: 148.82 NumAromaticRings: 3

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
AD06751
Formula: C22H22O4S

Smiles:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CO)cc2)c1
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.18
AlogP: 4.04 Num_rotatable_bonds: 7
MolWt: 382.48 Num_heavy_atoms: 27
TPSA: 63.6 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O