Glycoside
GD033411
Name:
NoneFormula:
C54H107O11NSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](COCOCCOC)[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.COCCOCOCSugarmoiety:
COCO.OC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 11.13 | Num_rotatable_bonds: | 50 |
| MolWt: | 946.45 | Num_heavy_atoms: | 66 |
| TPSA: | 176.4 | NumAromaticRings: | 0 |
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 |
AD21322
Formula: C5H12O3
Smiles:
COCCOCOC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 120.15 | Num_heavy_atoms: | 8 |
| TPSA: | 27.69 | NumAromaticRings: | 0 |
