Glycoside
GD010430
Name:
NoneFormula:
C52H93O11N3Smiles:
CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)n1cc(COCCCCCCCCCCCCOCCCCCCOCc2ccccc2)nn1Aglycone:
CCCCCCCCCCCCCCC(O)C(O)C(CO)n1cc(COCCCCCCCCCCCCOCCCCCCOCc2ccccc2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 8.66 | Num_rotatable_bonds: | 44 |
| MolWt: | 936.33 | Num_heavy_atoms: | 66 |
| TPSA: | 198.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD08050
Formula: C46H83O6N3
Smiles:
CCCCCCCCCCCCCCC(O)C(O)C(CO)n1cc(COCCCCCCCCCCCCOCCCCCCOCc2ccccc2)nn1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 10.84 | Num_rotatable_bonds: | 41 |
| MolWt: | 774.18 | Num_heavy_atoms: | 55 |
| TPSA: | 119.09 | NumAromaticRings: | 2 |
