Glycoside
...
GD004162

Name:
None

Formula:
C52H92O15N2S2

Smiles:
CCCCCC(=O)O[C@H]1[C@H](OC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@H](CSCCN)[C@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@H]2OC(=O)CCCCC)O[C@H]1CSCCN

Aglycone:
CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CSCCN.CSCCN

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

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 4 FractionCSP3: 0.88
AlogP: 8.79 Num_rotatable_bonds: 40
MolWt: 1049.44 Num_heavy_atoms: 71
TPSA: 237.53 NumAromaticRings: 0

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 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