Glycoside
GD157886
Name:
methyl 12-ethylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-8,14-diazapentacyclo[9.5.2.0¹,â¹.0²,â·.0¹â´,¹â·]octadeca-2(7),3,5,9-tetraene-10-carboxylateFormula:
C25H30O7N2Smiles:
CC=C1CN2CCC34C(=C(C(=O)OC)C1CC23)Nc1c(OC2OCC(O)C(O)C2O)cccc14Aglycone:
CC=C1CN2CCC34C(=C(C(=O)OC)C1CC23)Nc1c(O)cccc14Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.52 | Num_heavy_atoms: | 34 |
| TPSA: | 120.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD62372
Formula: C20H22O3N2
Smiles:
CC=C1CN2CCC34C(=C(C(=O)OC)C1CC23)Nc1c(O)cccc14| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 338.41 | Num_heavy_atoms: | 25 |
| TPSA: | 61.8 | NumAromaticRings: | 1 |
