Glycoside
...
GD010935

Name:
None

Formula:
C50H99O12NS

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.O=S(=O)(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 7 FractionCSP3: 0.98
AlogP: 10.31 Num_rotatable_bonds: 46
MolWt: 938.4 Num_heavy_atoms: 64
TPSA: 212.31 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD00325
Formula: C44H89O4N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC
HBA: 5 RingCount: 0
HBD: 4 FractionCSP3: 0.98
AlogP: 12.66 Num_rotatable_bonds: 41
MolWt: 696.2 Num_heavy_atoms: 49
TPSA: 89.79 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O