Glycoside
GD026448
Name:
NoneFormula:
C52H88O18N2SSmiles:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCSCCCN(C(C)=O)[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC(=O)O)[C@H]2O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCSCCCNC(C)=O.O=C(O)COSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.87 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 35 |
| MolWt: | 1061.34 | Num_heavy_atoms: | 73 |
| TPSA: | 303.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD17434
Formula: C32H56O2N2S
Smiles:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCSCCCNC(C)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 25 |
| MolWt: | 532.88 | Num_heavy_atoms: | 37 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
