Glycoside
...
GD014842

Name:
None

Formula:
C29H30O8S

Smiles:
CO[C@@H]1O[C@H](COc2ccc3c(c2)CCCC3)[C@H](O)[C@H](O)[C@H]1Oc1ccc2c(c1)-c1ccccc1S2(=O)=O

Aglycone:
COc1ccc2c(c1)CCCC2.O=S1(=O)c2ccccc2-c2cc(O)ccc21

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.38
AlogP: 3.3 Num_rotatable_bonds: 6
MolWt: 538.62 Num_heavy_atoms: 38
TPSA: 111.52 NumAromaticRings: 3

Unique Aglycone
AD00248
Formula: C12H8O3S

Smiles:
O=S1(=O)c2ccccc2-c2cc(O)ccc21
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 2.21 Num_rotatable_bonds: 0
MolWt: 232.26 Num_heavy_atoms: 16
TPSA: 54.37 NumAromaticRings: 2
AD04140
Formula: C11H14O

Smiles:
COc1ccc2c(c1)CCCC2
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.45
AlogP: 2.57 Num_rotatable_bonds: 1
MolWt: 162.23 Num_heavy_atoms: 12
TPSA: 9.23 NumAromaticRings: 1

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O