Glycoside
...
GD015719

Name:
None

Formula:
C35H69O12N5S2

Smiles:
CCCCCCSC[C@H]1O[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O)[C@H]2O[C@H]2O[C@@H](CSCCCCCC)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@@H](O)[C@H]1O

Aglycone:
CCCCCCSC.CCCCCCSC.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)OC(O)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 16 FractionCSP3: 1.0
AlogP: -2.22 Num_rotatable_bonds: 21
MolWt: 816.09 Num_heavy_atoms: 54
TPSA: 306.86 NumAromaticRings: 0

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD06084
Formula: C7H16S

Smiles:
CCCCCCSC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 2.93 Num_rotatable_bonds: 5
MolWt: 132.27 Num_heavy_atoms: 8
TPSA: 0.0 NumAromaticRings: 0

Sugarmoiety
SD02023

NC1C(O)OC(O)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O