Glycoside
...
GD002483

Name:
None

Formula:
C52H104O9N2S2

Smiles:
CCCCCCO[C@H]1[C@H](OCCCCCC)[C@@H](OCCCCCC)[C@@H](O[C@@H]2O[C@H](CSCCN)[C@H](OCCCCCC)[C@H](OCCCCCC)[C@H]2OCCCCCC)O[C@H]1CSCCN

Aglycone:
CCCCCCO.CCCCCCO.CCCCCCO.CCCCCCO.CCCCCCO.CCCCCCO.CSCCN.CSCCN

Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 1.0
AlogP: 11.63 Num_rotatable_bonds: 46
MolWt: 965.54 Num_heavy_atoms: 65
TPSA: 135.11 NumAromaticRings: 0

Unique Aglycone
AD00066
Formula: C6H14O

Smiles:
CCCCCCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 1.56 Num_rotatable_bonds: 4
MolWt: 102.18 Num_heavy_atoms: 7
TPSA: 20.23 NumAromaticRings: 0
AD02368
Formula: C3H9NS

Smiles:
CSCCN
HBA: 1 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 0.31 Num_rotatable_bonds: 2
MolWt: 91.18 Num_heavy_atoms: 5
TPSA: 26.02 NumAromaticRings: 0

Sugarmoiety
SD00200

OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O