Glycoside
GD135960
Name:
2'-N-(1''-Deoxy-1''-Beta-D-Fructopyranosyl)NeocephaelineFormula:
C34H48O9N2Smiles:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2c(ccc(OC)c2O)CCN1CC1(O)OCC(O)C(O)C1OAglycone:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2c(ccc(OC)c2O)CCN1CSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.76 | Num_heavy_atoms: | 45 |
| TPSA: | 144.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD54962
Formula: C29H40O4N2
Smiles:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2c(ccc(OC)c2O)CCN1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.65 | Num_heavy_atoms: | 35 |
| TPSA: | 54.4 | NumAromaticRings: | 2 |
