Glycoside
GD024412
Name:
NoneFormula:
C61H106O9N2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](C(=O)NCc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.O=CNCc1cccc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 12.96 | Num_rotatable_bonds: | 46 |
| MolWt: | 1011.52 | Num_heavy_atoms: | 72 |
| TPSA: | 177.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 696.2 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD16297
Formula: C12H11ON
Smiles:
O=CNCc1cccc2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.23 | Num_heavy_atoms: | 14 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
