Glycoside
GD009233
Name:
NoneFormula:
C35H44O5N2Smiles:
NCCCCCOCC1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCCc2cc3ccccc3[nH]2)O1Aglycone:
COCCCCCN.OCCc1cc2ccccc2[nH]1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 17 |
| MolWt: | 572.75 | Num_heavy_atoms: | 42 |
| TPSA: | 87.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00861
Formula: C6H15ON
Smiles:
COCCCCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 117.19 | Num_heavy_atoms: | 8 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
AD00948
Formula: C10H11ON
Smiles:
OCCc1cc2ccccc2[nH]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
