Glycoside
GD006321
Name:
NoneFormula:
C57H105O9NSmiles:
CCCCCCCCCC[C@@H]1C[C@H]1CCCCC=CCC[C@H](O)C(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCC=C(C)C)[C@H](O)CCCCCCC[C@@H]1C[C@H]1CCCCCCCCCCAglycone:
CC(C)=CCO.CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(=O)NC(CO)C(O)CCCCCCCC1CC1CCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 11.96 | Num_rotatable_bonds: | 44 |
| MolWt: | 948.46 | Num_heavy_atoms: | 67 |
| TPSA: | 157.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD05247
Formula: C5H10O
Smiles:
CC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD05248
Formula: C46H87O4N
Smiles:
CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(=O)NC(CO)C(O)CCCCCCCC1CC1CCCCCCCCCC| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 12.15 | Num_rotatable_bonds: | 38 |
| MolWt: | 718.2 | Num_heavy_atoms: | 51 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
