Glycoside
...
GD004179

Name:
None

Formula:
C40H63O60N3S13

Smiles:
O=S(=O)(O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OS(=O)(=O)O)[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](COS(=O)(=O)O)O[C@H]3OCCCCCCCCn3cc(-c4ccccc4)nn3)O[C@H](COS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:
COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.OCCCCCCCCn1cc(-c2ccccc2)nn1

Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(OC4OOC(O)OC4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 63 RingCount: 6
HBD: 13 FractionCSP3: 0.8
AlogP: -7.67 Num_rotatable_bonds: 47
MolWt: 1962.78 Num_heavy_atoms: 116
TPSA: 931.35 NumAromaticRings: 2

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
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD03378
Formula: C16H23ON3

Smiles:
OCCCCCCCCn1cc(-c2ccccc2)nn1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 3.28 Num_rotatable_bonds: 9
MolWt: 273.38 Num_heavy_atoms: 20
TPSA: 50.94 NumAromaticRings: 2

Sugarmoiety
SD00493

OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(OC4OOC(O)OC4O)C3O)C2O)C(O)C(O)C1O