Glycoside
GD027345
Name:
NoneFormula:
C60H109O9NSmiles:
CCCCCCCCCCCC1CC1CCCCCC=CCC[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCC=C(C)C)NC(=O)[C@H](O)CCC=CCCCCC1CC1CCCCCCCCCCAglycone:
CC(C)=CCO.CCCCCCCCCCCC1CC1CCCCCC=CCCC(O)C(CO)NC(=O)C(O)CCC=CCCCCC1CC1CCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 12.91 | Num_rotatable_bonds: | 46 |
| MolWt: | 988.53 | Num_heavy_atoms: | 70 |
| 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 |
AD17976
Formula: C49H91O4N
Smiles:
CCCCCCCCCCCC1CC1CCCCCC=CCCC(O)C(CO)NC(=O)C(O)CCC=CCCCCC1CC1CCCCCCCCCC| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 13.09 | Num_rotatable_bonds: | 40 |
| MolWt: | 758.27 | Num_heavy_atoms: | 54 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
