Glycoside
GD138127
Name:
7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-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:
C37H57O9NSmiles:
CC1(C)CCC2(C(=O)O)C3CNC1C2C1=CCC2C4(C)CCC(OC5OC(C(=O)O)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)C3Aglycone:
CC1(C)CCC2(C(=O)O)C3CNC1C2C1=CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)C3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 659.86 | Num_heavy_atoms: | 47 |
| TPSA: | 165.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD55776
Formula: C31H49O3N
Smiles:
CC1(C)CCC2(C(=O)O)C3CNC1C2C1=CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)C3| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 483.74 | Num_heavy_atoms: | 35 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
