Glycoside
GD105562
Name:
NoneFormula:
C30H37O5NSmiles:
CCCCNC(=O)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CO)OCc1ccccc1Aglycone:
CCCCN.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(CO)OOOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 16 |
| MolWt: | 491.63 | Num_heavy_atoms: | 36 |
| TPSA: | 77.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD24818
Formula: C4H11N
Smiles:
CCCCN| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.14 | Num_heavy_atoms: | 5 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
