Glycoside
GD116407
Name:
20-({2-[4-amino-1-(1H-imidazol-4-yl)butyl]-5-oxopyrrolidin-3-yl}methyl)-19-hydroxy-8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-22-azahexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracos-11-ene-5-carboxylic acidFormula:
C48H75O11N5Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6CC(O)=NC6C(CCCN)c6cnc[nH]6)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C3C45C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6CC(O)=NC6C(CCCN)c6cnc[nH]6)C(O)C(O)C(C)(CO)C3C45C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.85 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 898.15 | Num_heavy_atoms: | 64 |
| TPSA: | 276.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD46218
Formula: C43H67O7N5
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6CC(O)=NC6C(CCCN)c6cnc[nH]6)C(O)C(O)C(C)(CO)C3C45C)C2C1| HBA: | 12 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 766.04 | Num_heavy_atoms: | 55 |
| TPSA: | 217.54 | NumAromaticRings: | 1 |
