Glycoside

GD014191
Name:
NoneFormula:
C52H85O46N3S5Smiles:
CCCCOC(=O)C=C(CO)OC1OC(COS(=O)(=O)O)C(OC2OC(C(=O)OCCCC)C(OC3OC(COS(=O)(=O)O)C(OC4OC(C(=O)OCCCC)C(OC5OC(COS(=O)(=O)O)C(O)C(O)C5NC(C)=O)C(O)C4OS(=O)(=O)O)C(O)C3NC(C)=O)C(O)C2OS(=O)(=O)O)C(O)C1NC(C)=OAglycone:
CCCCOC(=O)C=C(O)CO.CCCCOC=O.CCCCOC=O.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC2OC(O)C(OC3OC(O)C(OC4OC(O)C(OC5OC(O)C(O)C(O)C5NC(C)=O)C(O)C4O)C(O)C3NC(C)=O)C(O)C2O)C1OOther Identifiers
Properties
HBA: | 49 | RingCount: | 5 |
HBD: | 15 | FractionCSP3: | 0.85 |
AlogP: | -8.41 | Num_rotatable_bonds: | 39 |
MolWt: | 1648.56 | Num_heavy_atoms: | 106 |
TPSA: | 718.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)OHBA: | 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)OHBA: | 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 |
AD01542
Formula: C5H10O2
Smiles:
CCCCOC=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.8 |
AlogP: | 0.96 | Num_rotatable_bonds: | 4 |
MolWt: | 102.13 | Num_heavy_atoms: | 7 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10475
Formula: C8H14O4
Smiles:
CCCCOC(=O)C=C(O)COHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.62 |
AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
MolWt: | 174.2 | Num_heavy_atoms: | 12 |
TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety

SD01895
CC(=O)NC1C(O)OC(O)C(OC2OC(O)C(OC3OC(O)C(OC4OC(O)C(OC5OC(O)C(O)C(O)C5NC(C)=O)C(O)C4O)C(O)C3NC(C)=O)C(O)C2O)C1O