Glycoside
...
GD025895

Name:
None

Formula:
C32H65O10N5S

Smiles:
CCCCCCCCCCCCCCS(=O)(=O)C[C@@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H](N)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)C[C@H]3N)[C@H]2O)[C@H](O)[C@H](N)[C@H]1O

Aglycone:
CCCCCCCCCCCCCCS(C)(=O)=O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

Sugarmoiety:
NC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 14 FractionCSP3: 1.0
AlogP: -1.17 Num_rotatable_bonds: 20
MolWt: 711.96 Num_heavy_atoms: 48
TPSA: 282.08 NumAromaticRings: 0

Unique Aglycone
AD02993
Formula: C12H26O5N4

Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O
HBA: 9 RingCount: 2
HBD: 11 FractionCSP3: 1.0
AlogP: -4.09 Num_rotatable_bonds: 3
MolWt: 306.36 Num_heavy_atoms: 21
TPSA: 183.23 NumAromaticRings: 0
AD17115
Formula: C15H32O2S

Smiles:
CCCCCCCCCCCCCCS(C)(=O)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 4.73 Num_rotatable_bonds: 13
MolWt: 276.49 Num_heavy_atoms: 18
TPSA: 34.14 NumAromaticRings: 0

Sugarmoiety
SD00219

NC1C(O)C(O)OC(O)C1O