Glycoside
GD114148
Name:
19-hydroxy-8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-20-[(5-oxopyrrolidin-3-yl)methyl]-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:
C41H64O11N2Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6CN=C(O)C6)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(CC6CN=C(O)C6)C(O)C(O)C(C)(CO)C3C45C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 760.97 | Num_heavy_atoms: | 54 |
| TPSA: | 221.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD44857
Formula: C36H56O7N2
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6CN=C(O)C6)C(O)C(O)C(C)(CO)C3C45C)C2C1| HBA: | 9 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 628.85 | Num_heavy_atoms: | 45 |
| TPSA: | 162.84 | NumAromaticRings: | 0 |
