Glycoside
GD137132
Name:
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:
C36H57O10NSmiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6CNC(CC43C)C5C(C)(CO)C(OC3OCC(O)C(O)C3O)C6O)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6CNC(CC43C)C5C(C)(CO)C(O)C6O)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 663.85 | Num_heavy_atoms: | 47 |
| TPSA: | 189.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD55418
Formula: C31H49O6N
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6CNC(CC43C)C5C(C)(CO)C(O)C6O)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 531.73 | Num_heavy_atoms: | 38 |
| TPSA: | 130.25 | NumAromaticRings: | 0 |
