Glycoside
GD147750
Name:
Cephalezomine DFormula:
C28H37O10NSmiles:
COC(=O)C(O)C(O)(CCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4Aglycone:
CCC(C)(C)O.COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 547.6 | Num_heavy_atoms: | 39 |
| 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 |
AD25287
Formula: C5H12O
Smiles:
CCC(C)(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
