Glycoside
GD139700
Name:
7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-17-(methoxymethyl)-1,2,6,6,10,19,19-heptamethyl-21-azahexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracos-13-ene-16-carboxylic acidFormula:
C39H61O10NSmiles:
COCC1CC(C)(C)C2NCC3CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C2C13C(=O)OAglycone:
COCC1CC(C)(C)C2NCC3CC4(C)C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C13C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 703.91 | Num_heavy_atoms: | 50 |
| TPSA: | 175.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD56337
Formula: C33H53O4N
Smiles:
COCC1CC(C)(C)C2NCC3CC4(C)C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C13C(=O)O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 527.79 | Num_heavy_atoms: | 38 |
| TPSA: | 78.79 | NumAromaticRings: | 0 |
