Glycoside
...
GD030353

Name:
None

Formula:
C26H53O8N5S

Smiles:
CCCCCCCCSC[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:
CCCCCCCCSC.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 14 FractionCSP3: 1.0
AlogP: -2.19 Num_rotatable_bonds: 14
MolWt: 595.8 Num_heavy_atoms: 40
TPSA: 247.94 NumAromaticRings: 0

Unique Aglycone
AD00560
Formula: C9H20S

Smiles:
CCCCCCCCSC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 3.71 Num_rotatable_bonds: 7
MolWt: 160.33 Num_heavy_atoms: 10
TPSA: 0.0 NumAromaticRings: 0
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

Sugarmoiety
SD00219

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