Glycoside
GD012307
Name:
NoneFormula:
C47H82O11NSSmiles:
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]1O)NC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(OCc1ccccc1)C(CO)NC(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 9.1 | Num_rotatable_bonds: | 38 |
| MolWt: | 869.24 | Num_heavy_atoms: | 60 |
| TPSA: | 183.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | 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 |
