Glycoside
...
GD034891

Name:
None

Formula:
C23H35O6N3S

Smiles:
CCOC(=O)c1nnn([C@@H]2O[C@H](COC(C)C)[C@H](OC(C)C)[C@H]2OC(C)C)c1-c1cccs1

Aglycone:
CCOC(=O)C1=C(c2cccs2)[N]N=N1.COC(C)C

Sugarmoiety:
CC(C)OO.CC(C)OOC(O)OC(C)C

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 0 FractionCSP3: 0.7
AlogP: 4.09 Num_rotatable_bonds: 11
MolWt: 481.62 Num_heavy_atoms: 33
TPSA: 93.93 NumAromaticRings: 2

Unique Aglycone
AD03491
Formula: C4H10O

Smiles:
COC(C)C
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 74.12 Num_heavy_atoms: 5
TPSA: 9.23 NumAromaticRings: 0
AD22123
Formula: C9H8O2N3S

Smiles:
CCOC(=O)C1=C(c2cccs2)[N]N=N1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.22
AlogP: 1.97 Num_rotatable_bonds: 3
MolWt: 222.25 Num_heavy_atoms: 15
TPSA: 65.12 NumAromaticRings: 1

Sugarmoiety
SD03182

CC(C)OO.CC(C)OOC(O)OC(C)C