Glycoside
GD004263
Name:
NoneFormula:
C47H83O14NS2Smiles:
CCCCCCCCCCCCCC=C[C@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(OCc1ccccc1)C(CO)NC(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)O.O=S(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther 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 |
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 |
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 |
