Glycoside
GD150691
Name:
IncednineFormula:
C42H63O8N3Smiles:
CNC1CCC(OC2COC(OC3C=CC=CC(C)=CC=CC(C)=CCC(C)N=C(O)C(OC)=CC(C)=CC=CC=CC3(C)O)C(NC)C2O)OC1CAglycone:
CNC1CCC(O)OC1C.COC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1OSugarmoiety:
CNC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 737.98 | Num_heavy_atoms: | 53 |
| TPSA: | 143.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD60166
Formula: C7H15O2N
Smiles:
CNC1CCC(O)OC1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 41.49 | NumAromaticRings: | 0 |
AD60167
Formula: C29H39O4N
Smiles:
COC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.34 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 465.63 | Num_heavy_atoms: | 34 |
| TPSA: | 82.28 | NumAromaticRings: | 0 |
