Glycoside
GD129147
Name:
Cephalezomine EFormula:
C29H39O10NSmiles:
COC(=O)C(O)C(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4Aglycone:
CCCC(C)(C)O.COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.66 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 561.63 | Num_heavy_atoms: | 40 |
| TPSA: | 144.22 | 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 |
AD52315
Formula: C6H14O
Smiles:
CCCC(C)(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
