Glycoside
...
GD003823

Name:
None

Formula:
C47H83O14NS2

Smiles:
CCCCCCCCCCCCCC=C[C@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCC=CC(OCc1ccccc1)C(CO)NC(=O)CCCCCCCCCCCCCCC.O=S(=O)(O)O.O=S(=O)(O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 5 FractionCSP3: 0.81
AlogP: 9.27 Num_rotatable_bonds: 40
MolWt: 950.31 Num_heavy_atoms: 64
TPSA: 224.45 NumAromaticRings: 1

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
AD03181
Formula: C41H73O3N

Smiles:
CCCCCCCCCCCCCC=CC(OCc1ccccc1)C(CO)NC(=O)CCCCCCCCCCCCCCC
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.78
AlogP: 11.79 Num_rotatable_bonds: 33
MolWt: 628.04 Num_heavy_atoms: 45
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00003

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