Glycoside
...
GD020757

Name:
None

Formula:
C57H70O18N2S4

Smiles:
COc1c(O[C@@H]2O[C@H](CSSCC[C@@H]3O[C@H](Oc4cc5c(c(OC)c4OC)-c4ccc(SC)c(=O)cc4[C@H](CNC(C)=O)CC5)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@H](CNC(C)=O)CC2

Aglycone:
CCSSC.COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(CNC(C)=O)CC2.COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(CNC(C)=O)CC2

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 8 FractionCSP3: 0.51
AlogP: 4.4 Num_rotatable_bonds: 20
MolWt: 1199.45 Num_heavy_atoms: 81
TPSA: 287.56 NumAromaticRings: 4

Unique Aglycone
AD02636
Formula: C22H25O5NS

Smiles:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(CNC(C)=O)CC2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.36
AlogP: 3.32 Num_rotatable_bonds: 5
MolWt: 415.51 Num_heavy_atoms: 29
TPSA: 84.86 NumAromaticRings: 2
AD14279
Formula: C3H8S2

Smiles:
CCSSC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 2.02 Num_rotatable_bonds: 2
MolWt: 108.23 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0

Sugarmoiety
SD00041

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