Glycoside
...
GD000427

Name:
None

Formula:
C29H32O11N2S

Smiles:
C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(C)=NOCc4ccsc4)c(=O)oc3c2C)OC(C)(C)[C@H]1OC

Aglycone:
C#CCONC(=O)O.CC(=NOCc1ccsc1)c1c(O)c2ccc(O)c(C)c2oc1=O

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 3 FractionCSP3: 0.41
AlogP: 3.36 Num_rotatable_bonds: 10
MolWt: 616.65 Num_heavy_atoms: 43
TPSA: 167.51 NumAromaticRings: 3

Unique Aglycone
AD00474
Formula: C4H5O3N

Smiles:
C#CCONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.25
AlogP: -0.18 Num_rotatable_bonds: 2
MolWt: 115.09 Num_heavy_atoms: 8
TPSA: 58.56 NumAromaticRings: 0
AD00475
Formula: C17H15O5NS

Smiles:
CC(=NOCc1ccsc1)c1c(O)c2ccc(O)c(C)c2oc1=O
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.18
AlogP: 3.51 Num_rotatable_bonds: 4
MolWt: 345.38 Num_heavy_atoms: 24
TPSA: 92.26 NumAromaticRings: 3

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C