Glycoside
GD009901
Name:
NoneFormula:
C55H102O9N2SSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](C(=O)NCc2ccsc2)[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=CNCc1ccsc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 11.87 | Num_rotatable_bonds: | 46 |
| MolWt: | 967.49 | Num_heavy_atoms: | 67 |
| TPSA: | 177.81 | NumAromaticRings: | 1 |
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 |
AD07719
Formula: C6H7ONS
Smiles:
O=CNCc1ccsc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 141.19 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
