Glycoside
...
GD038388

Name:
5-[2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid

Formula:
C29H30O11N2S

Smiles:
O=C1C=CC2=C(C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1C(=O)O

Aglycone:
O=C1C=CC2=C(C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCO)cc1C(=O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.34
AlogP: 0.5 Num_rotatable_bonds: 8
MolWt: 614.63 Num_heavy_atoms: 43
TPSA: 207.27 NumAromaticRings: 2

Unique Aglycone
AD24007
Formula: C23H20O6N2S

Smiles:
O=C1C=CC2=C(C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCO)cc1C(=O)O
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.17
AlogP: 2.68 Num_rotatable_bonds: 5
MolWt: 452.49 Num_heavy_atoms: 32
TPSA: 128.12 NumAromaticRings: 2

Sugarmoiety
SD00003

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