Glycoside
GD018118
Name:
Cephalezomine FFormula:
C29H39O9NSmiles:
COC(=O)C(O)C(O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4Aglycone:
CCCC(C)C.COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.66 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.63 | Num_heavy_atoms: | 39 |
| TPSA: | 123.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD00196
Formula: C18H21O3N
Smiles:
COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 299.37 | Num_heavy_atoms: | 22 |
| TPSA: | 30.93 | NumAromaticRings: | 1 |
AD12837
Formula: C6H14
Smiles:
CCCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 86.18 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
